data_2ko0_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 2ko0 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.667 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.962 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.554 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.69 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.865 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.69 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.962 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.569 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.531 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.562 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.632 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.486 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.505 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' ARG . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.478 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.524 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.712 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.694 ' O ' HG21 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 40' ' ' VAL . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.637 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.483 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.712 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.675 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.405 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.687 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.5 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.607 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.746 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.746 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.607 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.47 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.607 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.765 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.627 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.765 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.627 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.614 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.8 m . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.408 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.54 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.421 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.611 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.662 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.478 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.688 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.715 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.688 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.618 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.564 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.611 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.609 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.7 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.665 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.7 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.626 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.604 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.615 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.672 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.672 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.597 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.615 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.638 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.638 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.467 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.51 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 2.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.7 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.707 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.657 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.584 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.596 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.453 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.551 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.583 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.433 ' O ' HD23 ' A' ' 82' ' ' LEU . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.431 -0.211 . . . . 10.0 110.431 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.522 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.67 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.572 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.628 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.545 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.585 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.601 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.66 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.736 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.627 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.514 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.8 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.517 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.44 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.73 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.73 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 40' ' ' VAL . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.642 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.62 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.619 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.625 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.641 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.427 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.498 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.518 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.692 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.783 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.678 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.577 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.612 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.692 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.785 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.633 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.555 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.633 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.455 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 3.9 m . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.408 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.828 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.577 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.828 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.551 HD12 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.539 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.566 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.634 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.59 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.74 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.708 0.29 . . . . 10.0 110.78 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.622 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.684 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.672 ' O ' HG21 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.58 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.58 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.56 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.622 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.422 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.627 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.52 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.534 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.534 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.627 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.617 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.531 ' O ' HG21 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 1.6 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.62 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.666 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.696 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.648 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.572 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.41 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.693 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.672 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.546 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.531 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.526 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.714 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.703 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.529 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG21 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.701 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 40' ' ' VAL . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.61 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.61 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.714 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.652 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.586 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.652 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.51 ' O ' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.527 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.636 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.403 ' HG3' ' HZ2' ' A' ' 24' ' ' LYS . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.699 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.686 ' O ' HG21 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.654 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.654 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.585 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.699 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.585 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.561 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.636 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.626 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.65 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.442 ' HE1' ' OG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 67' ' ' SER . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.584 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.65 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.546 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.479 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.665 0.269 . . . . 10.0 110.498 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.486 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.7 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.7 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.598 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' VAL . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.603 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.64 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.64 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.594 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.586 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.557 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.586 HD21 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' HD21 ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.618 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -98.32 30.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.618 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mt-30 -110.46 -59.81 1.89 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.297 -0.561 . . . . 10.0 110.388 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -178.04 154.02 0.85 Allowed 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 169.5 18.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' C ' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.667 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.962 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.482 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.562 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.497 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.5 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.554 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.69 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.622 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.865 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.722 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.69 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.962 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.569 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.667 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.746 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.531 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.746 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.405 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.517 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.531 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.562 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.632 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.632 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mt -169.81 169.07 8.58 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -73.02 -49.28 29.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.77 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.221 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.4 p -148.83 128.72 6.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 120.958 0.409 . . . . 10.0 110.59 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 3.3 Cg_exo -72.51 168.39 24.48 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.954 2.436 . . . . 10.0 112.387 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.247 -0.882 . . . . 10.0 110.062 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.83 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-C2' 106.893 0.721 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.83 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.618 1.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.874 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 108.93 1.412 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.874 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.576 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.621 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.958 1.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.639 " H2'" ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-N19 108.938 1.423 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.639 ' C7 ' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.514 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.46 0 O4'-C1'-N19 108.841 1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.541 ' H8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O4'-C1'-N19 109.49 2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.714 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O3'-P-O5' 101.238 -1.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.714 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.061 0.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.538 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.878 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-N19 108.589 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.111 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.535 2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.111 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.348 2 N19-C1'-C2' 103.896 -6.44 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.599 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-N19 109.144 1.68 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.701 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.737 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.701 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.077 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.622 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.322 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.622 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.722 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.409 2.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.683 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 P-O5'-C5' 118.818 -1.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.019 1.523 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.453 1.23 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O5'-C5' 119.095 -1.128 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.665 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.665 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.071 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.146 0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.499 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 104.645 -0.955 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.51 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.033 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.51 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.087 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.663 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.711 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -75.12 13.65 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.758 0.789 . . . . 10.0 110.949 -179.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.424 ' H ' ' C ' ' A' ' 1' ' ' MET . 27.7 mt-30 -93.01 -51.35 5.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 p -175.5 150.83 1.13 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -177.36 3.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' C ' ' H ' ' A' ' 12' ' ' ASN . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' ARG . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.478 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.711 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.524 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.637 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.675 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.678 ' HZ2' ' H73' ' B' ' 8' ' ' ' DT' . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.712 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.575 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.437 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.694 ' O ' HG21 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' H ' ' HG3' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 40' ' ' VAL . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.637 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.637 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.537 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.712 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.727 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.618 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.637 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.675 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.405 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.687 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.405 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.496 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.687 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.492 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.473 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.476 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.428 HD13 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.496 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.489 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.512 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 6.2 mt -163.33 167.33 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.58 -47.42 69.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.18 -72.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.48 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.26 151.49 67.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.493 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.59 141.37 91.0 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 123.275 2.65 . . . . 10.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.272 178.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.782 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.014 0.831 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.782 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.609 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.781 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 109.026 1.532 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.781 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.569 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O3'-P-O5' 102.261 -0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.569 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.789 1.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.695 " C2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.969 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.695 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.012 1.515 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.423 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 108.895 1.368 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.459 ' C8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.421 -1.179 0 P-O5'-C5' 118.091 -1.756 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.774 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O3'-P-O5' 100.623 -1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.774 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.609 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.838 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.089 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.978 0 O4'-C1'-N19 109.818 2.523 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.089 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.321 2 N19-C1'-C2' 103.855 -6.466 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.616 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 109.122 1.652 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.825 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.825 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.115 0.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.684 ' C7 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.466 1.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.537 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-C2' 107.104 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.727 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-N19 109.365 1.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.613 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.342 -1.599 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.896 1.37 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.425 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.943 1.429 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.425 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 109.136 1.67 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.638 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C4'-C3' 104.514 -1.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.638 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.492 " H5'" HH21 ' A' ' 65' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 108.93 1.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.411 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.476 -1.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.477 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.153 0.958 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.477 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 106.982 0.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.6 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.6 ptp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.739 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -73.65 -47.99 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.383 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.6 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 20.5 mt-30 -53.21 -32.28 47.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 110.443 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.87 154.77 1.55 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.644 -0.873 . . . . 10.0 108.644 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.446 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.5 m -76.59 171.61 14.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.504 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.568 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.607 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.746 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.526 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.474 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.44 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.472 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.446 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.591 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.579 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.746 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.731 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.591 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.567 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.607 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.47 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.607 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.765 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.627 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.765 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HZ1' H5'' ' C' ' 30' ' ' ' DA' . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 HD12 ' CD1' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.627 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.566 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.463 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.614 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -169.45 164.1 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.69 -72.66 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.538 0.524 . . . . 10.0 110.205 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.23 -63.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.821 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.3 p -156.78 134.52 7.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.091 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -63.1 157.56 48.61 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.812 2.341 . . . . 10.0 111.518 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 118.291 -0.861 . . . . 10.0 110.226 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.725 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-C2' 107.037 0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.725 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 108.595 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.894 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.894 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.182 0.984 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.615 H2'' ' C6 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.926 0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.615 ' C6 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.984 1.481 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.631 " C2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.224 1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.631 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.496 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.305 0 O4'-C1'-N19 109.359 1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.739 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.086 0 O4'-C1'-N19 109.531 2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.743 -1.714 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.579 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 102.087 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.579 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C4'-C3' 104.67 -0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.885 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.072 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.118 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.648 2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.118 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.468 2 N19-C1'-C2' 103.767 -6.52 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.554 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.743 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.632 1.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.743 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C1'-C2' 106.944 0.767 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.722 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.579 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 107.164 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.731 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.024 1.53 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.646 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-N19 109.129 1.662 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.411 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 109.19 1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.445 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.923 1.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.469 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 101.75 -1.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.632 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.168 0.971 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.632 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.551 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.579 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.49 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.513 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C4'-C3' 104.79 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.513 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.565 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 2.2 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -35.65 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.661 0.245 . . . . 10.0 111.661 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.565 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 28.4 mt-30 -50.8 -49.4 58.59 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 123.337 0.398 . . . . 10.0 111.33 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.33 160.65 2.16 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -79.63 -176.05 5.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.44 ' HH ' HG22 ' A' ' 85' ' ' VAL . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.481 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.421 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.611 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.557 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.715 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.488 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.56 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.662 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.433 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.519 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.688 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.577 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.715 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.724 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.688 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.618 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.611 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.609 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.7 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.665 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.7 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.447 ' HZ1' H5'' ' C' ' 30' ' ' ' DA' . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.493 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.626 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.626 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.14 159.69 23.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.93 -56.94 15.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.573 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 -68.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.665 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.44 HG22 ' HH ' ' A' ' 8' ' ' TYR . 2.1 p -147.18 131.59 8.67 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.899 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 19.0 Cg_exo -64.7 178.01 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.842 2.362 . . . . 10.0 111.967 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-O 117.962 -1.018 . . . . 10.0 109.666 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.733 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C4'-C3' 104.849 -0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.733 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.751 1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.663 H2'' ' C7 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.663 ' C7 ' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 104.541 -1.059 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.62 H2'' ' C5 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.133 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.62 ' C5 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.724 1.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.842 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-N19 109.227 1.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.842 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 109.078 1.598 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.443 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.416 -1.472 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.443 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.46 2.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.599 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.101 -1.526 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.611 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.611 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.864 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-N19 108.659 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.089 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 109.861 2.576 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.089 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.384 2 N19-C1'-C2' 103.544 -6.66 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.58 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.937 1.422 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.743 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.803 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.803 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.516 1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.577 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.082 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.724 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.164 0 O4'-C1'-N19 109.127 1.658 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.637 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 P-O5'-C5' 118.628 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 108.894 1.368 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.412 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C1'-N19 108.957 1.446 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.446 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 108.796 1.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.767 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C4'-C3' 104.709 -0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.767 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.684 1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.598 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.593 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.435 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.43 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HG3' ' HG2' ' A' ' 47' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.469 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.4 OUTLIER -71.16 -46.4 66.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.59 -30.45 71.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.371 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -173.49 153.26 2.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.604 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -75.79 169.97 17.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.452 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.474 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.446 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.475 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.615 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.672 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.562 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.433 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.496 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.672 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.604 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.46 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.58 ' N ' HD12 ' A' ' 53' ' ' ILE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.597 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.458 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.615 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.735 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.638 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.735 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.499 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.499 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.638 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.467 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.565 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -165.95 164.72 18.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.8 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -161.21 -65.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.173 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.4 p -155.72 132.15 5.95 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.6 Cg_exo -69.72 179.3 3.77 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.256 2.637 . . . . 10.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.721 -0.656 . . . . 10.0 110.158 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.726 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.398 0 O4'-C1'-C2' 106.98 0.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.726 ' C6 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.704 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.704 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O5'-C5' 119.03 -1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.583 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C4'-C3' 104.738 -0.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.586 H2'' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C4'-C3' 104.682 -0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.766 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-N19 109.164 1.705 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.766 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.316 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.479 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.362 0 O4'-C1'-N19 109.242 1.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.479 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.473 2.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O3'-P-O5' 101.041 -1.557 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 106.918 0.744 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.452 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 104.515 -1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.894 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.983 0.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.142 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.511 2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.142 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.443 2 N19-C1'-C2' 103.829 -6.482 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.581 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.011 1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.778 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.248 1.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.778 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.769 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.163 0.967 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.46 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.747 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.186 0 O4'-C1'-N19 109.083 1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.656 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O5'-C5' 118.578 -1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 108.957 1.447 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.477 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.165 1.707 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.603 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 102.145 -0.977 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.756 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.026 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.756 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.571 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 107.137 0.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.507 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.603 1.004 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.514 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.166 0.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.514 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 106.988 0.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.27 -48.68 59.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -178.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.6 mt-30 -55.16 -37.04 66.47 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.549 0.203 . . . . 10.0 111.549 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.47 158.76 2.32 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -78.12 -175.47 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.517 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.444 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.7 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.516 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.707 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.561 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.48 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.583 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.656 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.656 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.42 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.574 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.657 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.559 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.735 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.657 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.575 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.584 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.596 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.7 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.453 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.551 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.618 ' HZ1' H5'' ' B' ' 8' ' ' ' DT' . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.488 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.551 HD22 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.583 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.469 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.409 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.433 ' O ' HD23 ' A' ' 82' ' ' LEU . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.98 164.27 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -72.34 -75.73 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.23 -68.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 p -154.73 131.89 6.16 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.228 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -64.63 170.95 9.04 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.929 2.419 . . . . 10.0 112.345 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.637 -1.173 . . . . 10.0 109.481 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.786 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.466 0 O4'-C4'-C3' 104.904 -0.696 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.786 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.827 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.827 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.604 -0.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.616 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.616 ' C7 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C4'-C3' 104.507 -1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.652 " C2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.819 1.273 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.652 ' H72' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.416 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 O4'-C1'-N19 109.202 1.752 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.487 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.176 0 O3'-P-O5' 100.955 -1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.455 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.126 0 O3'-P-O5' 101.069 -1.543 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.455 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.561 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.041 0.855 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.87 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.125 0.931 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.102 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.888 0 O4'-C1'-N19 109.719 2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.102 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.637 2.487 2 N19-C1'-C2' 103.489 -6.694 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.572 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.766 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 108.752 1.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.766 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.75 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.559 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.735 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 109.34 1.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.672 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.062 1.577 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.439 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.332 -1.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.554 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.591 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 104.701 -0.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.591 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 P-O5'-C5' 119.35 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.544 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.203 1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.477 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.52 -1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.488 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.488 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.997 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.587 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.4 ptp . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.71 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 0.7 OUTLIER -72.52 -48.11 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.587 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.3 mt-30 -52.74 -33.53 48.62 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.922 0.391 . . . . 10.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.4 154.41 1.67 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.4 m -76.61 172.13 13.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.431 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.498 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.409 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.601 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.673 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.522 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.452 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.67 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.651 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.572 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.572 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.526 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.512 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.628 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.562 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.673 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.545 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.565 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.585 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.42 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.601 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.736 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.66 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.736 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HZ3' H5'' ' B' ' 8' ' ' ' DT' . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.504 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.487 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.66 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.43 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.402 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.627 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.627 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -168.1 164.37 13.5 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -66.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.357 0.41 . . . . 10.0 110.583 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -70.9 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p -155.68 134.62 7.6 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.365 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 24.4 Cg_exo -61.04 159.02 31.51 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.838 2.359 . . . . 10.0 111.664 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.32 -0.848 . . . . 10.0 110.021 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.815 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.433 -0.45 0 O4'-C1'-C2' 106.949 0.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.815 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.875 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.875 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.651 1.063 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.7 H2'' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-N19 108.655 1.069 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.7 ' H72' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.695 1.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.76 " H2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 109.198 1.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.76 ' H71' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.016 1.52 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.435 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.248 0 O4'-C1'-N19 109.002 1.503 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.71 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.202 0 O4'-C1'-N19 109.587 2.234 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.873 -1.646 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.595 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 C2'-C3'-O3' 113.662 1.134 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.595 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.172 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.915 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.141 0.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.071 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.872 0 O4'-C1'-N19 109.339 1.924 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.071 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.495 -2.251 2 N19-C1'-C2' 104.128 -6.295 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.655 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-N19 109.034 1.542 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.762 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.762 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.132 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.753 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.215 1.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.562 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.219 1.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.745 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.346 1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.649 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.942 1.427 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C4'-C3' 104.51 -1.09 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.092 1.614 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.551 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C4'-C3' 104.525 -1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.551 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.207 1.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.497 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.085 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.194 0.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.477 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.567 ' CG1' " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.14 -49.17 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.369 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.3 mt-30 -53.29 -37.23 62.03 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.775 0.322 . . . . 10.0 110.583 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.13 155.99 1.62 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.8 m -77.88 174.71 10.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.411 ' HH ' HG22 ' A' ' 85' ' ' VAL . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.625 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' HD3' ' H73' ' B' ' 8' ' ' ' DT' . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.508 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.53 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.73 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.514 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.669 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' CD ' ' HZ2' ' A' ' 49' ' ' LYS . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' H ' ' C ' ' A' ' 40' ' ' VAL . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.642 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.58 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.688 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.642 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.62 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.542 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.619 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.625 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.707 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.641 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.707 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.555 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.552 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.461 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.439 HG23 ' CD1' ' A' ' 36' ' ' TRP . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.427 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.69 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.97 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.21 -64.69 0.11 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.874 179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.446 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.9 p -150.73 129.83 6.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.1 Cg_exo -72.3 159.84 48.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.941 2.428 . . . . 10.0 111.207 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.411 -0.804 . . . . 10.0 110.354 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.759 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O4'-C1'-C2' 106.855 0.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.759 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.66 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.829 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 108.981 1.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.829 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O3'-P-O5' 102.146 -0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.652 H2'' ' C5 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.961 0.783 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.652 ' C5 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 O4'-C1'-C2' 107.228 1.025 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.611 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.698 0 O4'-C1'-N19 109.139 1.674 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.611 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 108.7 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.42 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 109.128 1.66 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.567 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.413 2.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.59 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 100.821 -1.673 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.59 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.616 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.935 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.073 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.663 2.328 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.073 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.373 2 N19-C1'-C2' 104.018 -6.364 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.634 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.089 0 O4'-C1'-N19 109.159 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.753 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.805 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.1 0.909 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.805 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.384 1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.58 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 107.129 0.936 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.747 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.188 0 O4'-C1'-N19 109.272 1.84 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.658 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.31 -1.619 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.516 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 108.965 1.456 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.556 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 P-O5'-C5' 118.978 -1.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.735 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 106.998 0.817 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.735 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C4'-C3' 104.747 -0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.628 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.521 -1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.536 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.536 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.049 0.863 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.534 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.041 -0.725 . . . . 10.0 109.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.5 m -98.06 13.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -97.59 -59.7 1.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.465 -0.894 . . . . 10.0 111.11 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -177.9 156.33 1.07 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.26 170.13 17.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.418 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' C ' ' H ' ' A' ' 12' ' ' ASN . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 10' ' ' CYS . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.692 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.489 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.783 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.435 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.466 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.446 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.678 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.671 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.783 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.743 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.678 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.572 HD13 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.577 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.612 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.692 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.785 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.633 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.785 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.555 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.555 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.633 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.595 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.455 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.593 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.593 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.57 159.89 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.55 -66.48 0.56 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.576 0.547 . . . . 10.0 110.063 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.11 -69.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.679 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.9 p -156.38 134.29 7.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.619 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 22.1 Cg_exo -64.04 158.08 49.67 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.084 2.522 . . . . 10.0 112.334 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.646 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.792 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.878 0.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.792 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.083 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.838 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.905 1.381 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.838 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.609 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.023 0.839 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.631 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.575 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.744 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.991 1.489 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.744 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.49 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.405 0 O4'-C1'-N19 109.524 2.156 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.49 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O3'-P-O5' 100.519 -1.832 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.598 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O3'-P-O5' 101.525 -1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.598 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C2'-C3'-O3' 113.102 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.599 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.938 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.592 0.99 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.104 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.99 0 O4'-C1'-N19 109.874 2.593 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.104 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.638 2.573 2 N19-C1'-C2' 103.726 -6.546 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.661 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.119 1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.812 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.812 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.068 0.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.761 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.358 1.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.671 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.114 0.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.743 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.207 1.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.683 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 P-O5'-C5' 118.203 -1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.419 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.105 1.632 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 108.836 1.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.468 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O3'-P-O5' 101.474 -1.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.663 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.96 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.663 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.761 1.202 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.615 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 108.689 1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.575 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.575 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-N19 108.696 1.12 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.491 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.468 -0.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.622 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 16.7 ptm . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.835 -0.432 . . . . 10.0 109.835 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.711 HG13 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -71.39 -46.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.761 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -50.82 -35.48 32.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.577 0.548 . . . . 10.0 110.391 179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.463 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.2 p -175.39 155.05 1.78 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.74 173.28 11.31 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.408 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.595 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.446 ' HZ3' ' H73' ' B' ' 8' ' ' ' DT' . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.828 ' CG ' ' HA ' ' A' ' 49' ' ' LYS . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.553 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.499 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.498 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' HG22 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.619 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.626 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.828 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.755 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.619 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.431 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.551 HD12 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.539 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.566 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.634 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.74 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.59 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.74 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HZ3' H5'' ' B' ' 8' ' ' ' DT' . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.475 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.59 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.475 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.514 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.2 165.25 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -74.18 -55.6 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.19 -64.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.161 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.445 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 7.3 p -161.47 139.2 6.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 11.2 Cg_exo -68.93 167.56 22.97 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.793 2.328 . . . . 10.0 110.73 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.933 -0.556 . . . . 10.0 111.06 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.923 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C4'-C3' 104.717 -0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.923 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.871 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.711 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.87 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.711 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.628 1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.62 H2'' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O3'-P-O5' 102.372 -0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.62 ' H72' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.683 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.575 " C2'" ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.055 1.569 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.575 ' C7 ' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.75 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.48 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 108.914 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.711 " H2'" HG13 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.3 0 O4'-C1'-N19 109.773 2.466 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.579 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 O3'-P-O5' 99.51 -2.363 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.698 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 113.817 1.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.698 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.849 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.022 0.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.1 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.596 2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.1 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.46 2 N19-C1'-C2' 103.815 -6.491 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.706 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-N19 109.075 1.594 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.85 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-N19 108.772 1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.85 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 P--O3' 1.615 0.701 0 O4'-C1'-C2' 107.043 0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.708 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.826 1.016 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.626 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.755 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.506 2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.642 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 P-O5'-C5' 118.528 -1.483 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 108.911 1.389 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.439 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.452 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.855 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.683 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C4'-C3' 104.74 -0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.683 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.541 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 104.63 -0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.486 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 104.461 -1.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.607 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 102.612 -0.73 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.607 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ptp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.571 HG21 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -109.04 12.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 109.995 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.37 -51.02 61.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.728 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -173.44 152.43 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 172.47 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.186 0.304 . . . . 10.0 110.78 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.622 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.752 ' HZ2' ' H73' ' B' ' 8' ' ' ' DT' . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.684 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.453 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.677 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.672 ' O ' HG21 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.672 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.524 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.524 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.58 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.493 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.639 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.701 ' CD2' " H2'" ' C' ' 22' ' ' ' DC' . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.58 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.538 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.622 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.422 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.489 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.627 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.52 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.581 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.534 HD22 ' H ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.534 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.627 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.617 ' O ' HD22 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.531 ' O ' HG21 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.523 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.531 HG21 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -164.12 163.4 23.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.03 -34.75 75.35 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.541 0.736 . . . . 10.0 112.839 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.513 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 2.0 tm? -63.82 -33.67 76.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.768 -177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 5.0 m -91.1 109.11 33.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.369 0.604 . . . . 10.0 110.299 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.513 ' HD3' ' O ' ' A' ' 84' ' ' LEU . 5.4 Cg_exo -73.02 159.72 47.25 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 123.202 2.602 . . . . 10.0 112.471 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 10.0 110.138 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.807 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O4'-C4'-C3' 104.75 -0.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.807 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-N19 108.534 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.817 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.812 1.264 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.817 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.292 1.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.533 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-N19 108.477 0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.677 " H3'" HG21 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.55 -1.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.664 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 108.912 1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.752 ' H73' ' HZ2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.199 0.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.483 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.232 0 O4'-C1'-N19 109.393 1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.571 " H2'" HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.288 0 P-O5'-C5' 118.009 -1.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.59 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.938 0 O3'-P-O5' 100.989 -1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.59 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.184 0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.617 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 104.801 -0.799 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.868 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.123 0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.111 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.494 2.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.111 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.278 2 N19-C1'-C2' 103.401 -6.75 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.65 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.158 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.753 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.845 0 O4'-C1'-N19 108.685 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.801 H2'' ' C5 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.801 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.4 1.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.493 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.701 " H2'" ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 109.254 1.818 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.68 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.992 1.49 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.249 1.811 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.705 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.45 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O3'-P-O5' 101.679 -1.222 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.624 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.624 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.82 1.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.589 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.619 1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.557 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.08 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.624 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.624 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 N19-C1'-C2' 115.585 0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.443 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.9 m -83.93 34.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -113.99 -58.93 2.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.88 157.18 1.44 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.434 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -79.08 173.49 12.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.534 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.62 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HZ3' ' H72' ' B' ' 8' ' ' ' DT' . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.666 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.525 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.564 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.522 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.666 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.522 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.434 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.696 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.578 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.648 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.742 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.696 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 53' ' ' ILE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.564 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.41 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.672 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.693 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.672 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.693 HD21 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.526 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.546 ' HB1' ' OG ' ' A' ' 62' ' ' SER . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.567 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -168.68 160.45 10.67 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.28 -72.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.794 0.684 . . . . 10.0 110.151 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.33 -69.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.405 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.82 129.24 6.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -67.85 157.87 59.85 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.796 2.331 . . . . 10.0 111.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.503 ' HD3' ' O ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.823 -0.608 . . . . 10.0 110.781 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.768 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C4'-C3' 104.795 -0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.768 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.598 0.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.761 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.761 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.654 H2'' ' C5 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.088 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.654 ' C5 ' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.24 1.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.616 " C2'" ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.51 -0.757 0 O4'-C1'-N19 109.169 1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.616 ' C7 ' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.068 1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.463 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 O4'-C1'-N19 108.758 1.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.463 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 O4'-C1'-N19 109.521 2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.436 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.148 0 O3'-P-O5' 101.143 -1.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.544 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C2'-C3'-O3' 113.698 1.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.544 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.914 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.098 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 109.356 1.945 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.098 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.325 2 N19-C1'-C2' 103.84 -6.475 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.624 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.038 1.548 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.791 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 108.924 1.404 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.791 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.63 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.578 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.177 0.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.742 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.077 1.596 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.652 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 P-O5'-C5' 118.663 -1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.452 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.901 1.376 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.473 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.831 1.289 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.827 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.827 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.3 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.606 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.606 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.542 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 N19-C1'-C2' 115.74 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 14.2 ptp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.647 HG21 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -110.61 12.89 8.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.507 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.453 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 19.8 mt-30 -68.29 -41.04 81.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.974 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.4 p -175.32 154.7 1.75 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 175.36 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.185 0.303 . . . . 10.0 110.213 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' O ' ' CD1' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.515 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HB3' ' OD2' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.714 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.749 ' HZ2' ' H73' ' B' ' 8' ' ' ' DT' . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.703 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.421 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.693 HG23 " H3'" ' B' ' 6' ' ' ' DT' . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.529 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.701 ' O ' HG21 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.701 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.411 ' H ' ' C ' ' A' ' 40' ' ' VAL . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.502 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.502 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.61 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.479 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.728 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.61 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.594 HD11 ' N ' ' A' ' 53' ' ' ILE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.545 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.512 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.714 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.587 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.652 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.586 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.539 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.652 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.471 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.522 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.51 ' O ' HG21 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.51 HG21 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.411 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.512 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.5 174.9 11.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.25 -34.82 68.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.635 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.52 -37.97 88.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.083 -0.962 . . . . 10.0 112.455 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.19 115.97 51.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.094 0.473 . . . . 10.0 111.666 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -72.5 164.14 36.5 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.326 2.684 . . . . 10.0 111.408 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.78 -1.105 . . . . 10.0 109.81 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.844 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 106.99 0.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.844 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.78 1.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.732 H2'' ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.921 1.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.732 ' H72' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.656 1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.639 H2'' ' H73' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.985 0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.693 " H3'" HG23 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.774 1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.644 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.722 0 O4'-C1'-N19 109.058 1.572 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.749 ' H73' ' HZ2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 108.927 1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.506 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.372 0 O4'-C1'-N19 109.214 1.768 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.647 " H2'" HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 O4'-C1'-N19 109.761 2.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.594 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 100.551 -1.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.633 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.633 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.159 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.743 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.144 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.134 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-N19 109.425 2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.134 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.292 2 N19-C1'-C2' 104.027 -6.358 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.705 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.947 1.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.784 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.996 0 O4'-C1'-N19 108.852 1.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.784 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.578 0.972 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.746 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.479 " H2'" HG22 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-C2' 107.139 0.944 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.728 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.051 1.564 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.656 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.461 2.077 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.41 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.073 1.592 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.41 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.664 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 104.673 -0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.664 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 108.582 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.581 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.261 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.515 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.784 1.23 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.567 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 106.95 0.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.567 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.952 0.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' ' H73' ' C' ' 20' ' ' ' DT' . 16.8 ptp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.54 ' CG2' " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -122.76 12.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -62.6 -36.14 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.885 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -175.76 155.83 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 -179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.33 175.52 10.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.408 ' HB2' HG13 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.636 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HZ2' ' H71' ' B' ' 8' ' ' ' DT' . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.699 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.681 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.686 ' O ' HG21 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.449 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' HA ' ' HE ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.654 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.654 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.461 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' HG3' ' OP1' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.585 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.438 HG22 " H2'" ' C' ' 21' ' ' ' DG' . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.699 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.739 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.585 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' N ' ' A' ' 53' ' ' ILE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.561 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.636 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.479 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.626 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.65 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.442 ' HE1' ' OG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.443 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' C ' ' H ' ' A' ' 67' ' ' SER . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.584 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.504 ' O ' ' HB3' ' A' ' 67' ' ' SER . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' H ' HD22 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.65 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.52 ' O ' HD23 ' A' ' 32' ' ' LEU . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.546 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.446 ' O ' HG21 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD2' HG21 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.446 HG21 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.479 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.73 172.77 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.76 -35.36 62.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.06 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.85 -42.68 94.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.639 -0.709 . . . . 10.0 111.627 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.3 OUTLIER -73.5 119.58 76.64 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 10.0 110.781 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 23.8 Cg_exo -62.17 146.71 95.92 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.124 2.55 . . . . 10.0 112.185 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 117.576 -1.202 . . . . 10.0 109.248 -179.511 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.78 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 106.933 0.757 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.78 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.738 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.854 H2'' ' H73' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-N19 108.859 1.324 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.854 ' H73' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O3'-P-O5' 101.983 -1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.632 H2'' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.542 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.632 ' H72' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.716 1.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.587 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 109.024 1.529 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.628 ' H71' ' HZ2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.772 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.496 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.332 0 O4'-C1'-N19 109.087 1.608 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.54 " H2'" ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.233 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.549 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.51 -1.837 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.549 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O3'-P-O5' 102.351 -0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.536 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-C2' 107.118 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.857 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.02 0.836 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.106 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 109.573 2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.106 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.323 2 N19-C1'-C2' 103.801 -6.499 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.643 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.315 -1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.822 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.822 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.774 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.324 1.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.465 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.739 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.272 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.676 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 P-O5'-C5' 118.261 -1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 109.197 1.746 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.367 -1.233 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.576 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.601 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.576 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.634 H2'' ' C8 ' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.801 1.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.634 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.475 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.572 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.935 0.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.572 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.921 0.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HB3' ' HA ' ' A' ' 51' ' ' SER . 1.7 mpt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.48 0.181 . . . . 10.0 110.574 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.473 ' HB ' ' CZ ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -135.55 22.63 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -178.454 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -62.11 -37.04 83.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.563 -0.455 . . . . 10.0 110.941 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.07 165.29 2.88 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.114 0.259 . . . . 10.0 111.259 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 165.48 24.05 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.498 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.486 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.7 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.501 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.7 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.598 ' O ' HG22 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB1' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.412 ' H ' ' C ' ' A' ' 40' ' ' VAL . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.603 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.64 ' CB ' ' HG ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.653 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.585 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.697 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.64 ' HG ' ' CB ' ' A' ' 47' ' ' PRO . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.547 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.499 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.594 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' PRO . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.586 ' O ' HD21 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.557 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.586 HD21 ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' HD21 ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.485 ' O ' HD23 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.586 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp -173.37 170.76 4.15 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.75 -54.16 12.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.489 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.046 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.49 144.95 53.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.811 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -64.43 158.4 49.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.291 1.994 . . . . 10.0 112.192 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.421 -0.8 . . . . 10.0 110.316 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.78 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.986 0.806 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.78 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.82 " C2'" ' H72' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.149 1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.82 ' H72' " C2'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.681 1.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . 0.569 H2'' ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.597 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.597 ' C8 ' " H1'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-N19 109.005 1.507 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.47 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 109.056 1.57 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . 0.408 ' O6 ' ' HE2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.008 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DG' . . . . . 0.428 ' C6 ' ' HB2' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.505 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.161 0 O3'-P-O5' 100.801 -1.684 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DC' . . . . . 0.671 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C2'-C3'-O3' 113.548 1.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DA' . . . . . 0.671 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 107.067 0.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.798 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 106.976 0.796 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' ' DC' . . . . . 1.126 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.911 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ' DG' . . . . . 1.126 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.368 2 N19-C1'-C2' 103.375 -6.766 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.579 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.813 1.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DG' . . . . . 0.857 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-N19 108.856 1.32 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.857 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 N19-C1'-C2' 115.644 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.54 ' C6 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.257 1.052 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.653 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.697 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.046 1.558 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.624 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.946 1.432 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DC' . . . . . 0.427 H2'' ' OP2' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.248 1.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . 0.482 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . 0.566 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O3'-P-O5' 101.562 -1.283 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.674 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ' DC' . . . . . 0.674 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ' DA' . . . . . 0.54 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 108.645 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ' DA' . . . . . 0.583 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.109 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ' DG' . . . . . 0.583 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ' DC' . . . . . 0.516 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.04 0.854 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' NE2' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.494 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 27' ' ' LEU . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.693 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.867 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.693 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.892 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.606 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.654 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.45 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.654 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.67 ' HG ' ' HG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.511 ' HE1' ' HE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.641 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.675 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.709 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.675 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.67 ' HG ' ' HG ' ' A' ' 5' ' ' CYS . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 20' ' ' VAL . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HE2' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.592 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.2 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.5 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.421 ' NE2' ' HE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.881 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.598 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.81 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.541 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.476 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.767 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.672 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.767 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.635 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.49 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.42 ' NE2' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.815 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.815 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.667 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.667 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.719 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.78 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.534 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.637 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.509 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.644 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' NE2' ' HE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.882 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 27' ' ' LEU . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.733 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.8 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.53 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.585 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.548 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.586 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.812 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.648 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.812 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.503 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.752 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.752 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.62 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.436 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.431 -0.211 . . . . 10.0 110.431 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.515 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 53' ' ' ILE . 0.1 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.851 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 27' ' ' LEU . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.584 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.631 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.795 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.745 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.745 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.626 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.647 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.443 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.647 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.8 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.853 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.853 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.687 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.653 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.4 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.604 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 73' ' ' LYS . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.431 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.518 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.887 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.594 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.685 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.887 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.549 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.784 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.67 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.638 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.615 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.89 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.625 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.433 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.809 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.927 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.528 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.644 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.644 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.468 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.708 0.29 . . . . 10.0 110.78 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.837 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.837 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.705 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.56 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.629 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.807 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 67' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.641 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.463 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' A' ' 52' ' ' SER . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.741 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.72 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.702 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.702 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.741 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.572 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.458 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.511 ' NE2' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.841 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.841 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.784 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.511 ' HE2' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.657 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.655 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.657 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.539 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 77' ' ' VAL . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.514 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.842 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD3' ' HA ' ' A' ' 74' ' ' GLU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.842 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.698 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.82 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.557 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.61 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.66 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HE1' ' HG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.649 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.66 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.46 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.665 0.269 . . . . 10.0 110.498 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.484 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.505 ' NE2' ' HE2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.597 ' HB3' HD13 ' A' ' 72' ' ' LEU . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 49' ' ' LYS . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.505 ' HE2' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.579 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.417 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.605 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.628 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -98.32 30.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.628 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mt-30 -110.46 -59.81 1.89 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.297 -0.561 . . . . 10.0 110.388 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -178.04 154.02 0.85 Allowed 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 169.5 18.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' NE2' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.494 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 27' ' ' LEU . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.693 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.487 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.867 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.742 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.693 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.892 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' N ' HG22 ' A' ' 53' ' ' ILE . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.497 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.606 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.654 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.45 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.654 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mt -169.81 169.07 8.58 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -73.02 -49.28 29.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -165.77 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.221 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 84' ' ' LEU . 2.4 p -148.83 128.72 6.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 120.958 0.409 . . . . 10.0 110.59 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 3.3 Cg_exo -72.51 168.39 24.48 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.954 2.436 . . . . 10.0 112.387 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.247 -0.882 . . . . 10.0 110.062 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.838 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-C2' 106.893 0.721 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.838 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.618 1.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.88 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 108.93 1.412 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.88 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.732 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.732 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.958 1.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.91 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-N19 108.938 1.423 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.91 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.46 0 O4'-C1'-N19 108.841 1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.563 ' H8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O4'-C1'-N19 109.49 2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.719 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O3'-P-O5' 101.238 -1.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.719 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.061 0.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.537 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.89 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-N19 108.589 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.165 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.535 2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.165 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.348 2 N19-C1'-C2' 103.896 -6.44 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.604 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-N19 109.144 1.68 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.71 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.737 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.71 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.077 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.631 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.322 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.487 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.742 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.409 2.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.677 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 P-O5'-C5' 118.818 -1.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.019 1.523 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.453 1.23 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.4 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O5'-C5' 119.095 -1.128 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.674 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.674 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.071 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.588 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.146 0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.51 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 104.645 -0.955 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.523 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.033 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.523 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.087 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.707 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.702 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -75.12 13.65 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.758 0.789 . . . . 10.0 110.949 -179.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -93.01 -51.35 5.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 p -175.5 150.83 1.13 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -177.36 3.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 12' ' ' ASN . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.702 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' HE1' ' HE1' ' A' ' 63' ' ' PHE . 0.1 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.641 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.675 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.709 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.654 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' A' ' 20' ' ' VAL . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' HE2' ' CD2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.592 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.504 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.2 mt -163.33 167.33 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.58 -47.42 69.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.18 -72.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.48 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.26 151.49 67.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.493 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.59 141.37 91.0 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 123.275 2.65 . . . . 10.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.272 178.906 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.791 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.014 0.831 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.791 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.609 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.839 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 109.026 1.532 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.839 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.753 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O3'-P-O5' 102.261 -0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.753 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.789 1.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.897 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.969 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.897 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.012 1.515 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.414 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 108.895 1.368 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.478 ' C8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.421 -1.179 0 P-O5'-C5' 118.091 -1.756 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.779 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O3'-P-O5' 100.623 -1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.779 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.615 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.848 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.143 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.978 0 O4'-C1'-N19 109.818 2.523 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.143 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.321 2 N19-C1'-C2' 103.855 -6.466 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.621 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 109.122 1.652 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.834 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.834 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.115 0.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.69 ' C7 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.466 1.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.449 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-C2' 107.104 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.745 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-N19 109.365 1.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.607 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.342 -1.599 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.896 1.37 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.943 1.429 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.411 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 109.136 1.67 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.648 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C4'-C3' 104.514 -1.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.648 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.504 " H5'" HH21 ' A' ' 65' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 108.93 1.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.418 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.476 -1.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.49 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.153 0.958 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.49 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 106.982 0.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.6 ptp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.958 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -73.65 -47.99 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.383 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.594 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 20.5 mt-30 -53.21 -32.28 47.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 110.443 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.87 154.77 1.55 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.644 -0.873 . . . . 10.0 108.644 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.5 m -76.59 171.61 14.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.571 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.503 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.1 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.881 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.748 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.598 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.81 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.435 ' N ' HG22 ' A' ' 53' ' ' ILE . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.476 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.549 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.421 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.767 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.672 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.767 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.635 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.49 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -169.45 164.1 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.69 -72.66 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.538 0.524 . . . . 10.0 110.205 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -140.23 -63.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.821 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p -156.78 134.52 7.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.091 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 21.3 Cg_exo -63.1 157.56 48.61 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.812 2.341 . . . . 10.0 111.518 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 118.291 -0.861 . . . . 10.0 110.226 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.737 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-C2' 107.037 0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.737 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 108.595 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.946 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.946 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.182 0.984 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.758 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.926 0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.758 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.984 1.481 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.933 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.224 1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.933 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.489 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.305 0 O4'-C1'-N19 109.359 1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.958 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.086 0 O4'-C1'-N19 109.531 2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.743 -1.714 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 102.087 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C4'-C3' 104.67 -0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.896 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.072 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.178 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.648 2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.178 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.468 2 N19-C1'-C2' 103.767 -6.52 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.559 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.753 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.632 1.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.817 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C1'-C2' 106.944 0.767 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.817 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.514 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 107.164 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.748 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.024 1.53 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.637 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-N19 109.129 1.662 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.404 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 109.19 1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.437 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.923 1.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.478 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 101.75 -1.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.642 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.168 0.971 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.642 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.551 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.584 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.525 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C4'-C3' 104.79 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.525 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 2.2 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -35.65 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.661 0.245 . . . . 10.0 111.661 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.598 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 28.4 mt-30 -50.8 -49.4 58.59 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 123.337 0.398 . . . . 10.0 111.33 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -176.33 160.65 2.16 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -79.63 -176.05 5.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.499 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.815 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.815 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.667 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.667 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.5 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.471 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.719 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.742 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.78 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.447 ' N ' HG22 ' A' ' 53' ' ' ILE . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.483 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.637 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HZ1' H5'' ' C' ' 30' ' ' ' DA' . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.644 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -163.14 159.69 23.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.93 -56.94 15.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.573 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 -68.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.665 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.1 p -147.18 131.59 8.67 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.899 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 19.0 Cg_exo -64.7 178.01 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.842 2.362 . . . . 10.0 111.967 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-O 117.962 -1.018 . . . . 10.0 109.666 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.745 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C4'-C3' 104.849 -0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.777 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.751 1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.777 ' H71' H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.751 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 104.541 -1.059 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.724 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.133 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.724 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.724 1.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.956 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-N19 109.227 1.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.956 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 109.078 1.598 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.433 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.416 -1.472 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.433 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.46 2.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.607 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.101 -1.526 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.612 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.612 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.875 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-N19 108.659 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.155 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 109.861 2.576 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.155 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.384 2 N19-C1'-C2' 103.544 -6.66 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.937 1.422 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.754 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.855 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.855 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.516 1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.471 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.082 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.742 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.164 0 O4'-C1'-N19 109.127 1.658 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.629 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 P-O5'-C5' 118.628 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 108.894 1.368 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C1'-N19 108.957 1.446 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.452 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 108.796 1.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.778 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C4'-C3' 104.709 -0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.778 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.684 1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.605 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.586 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.593 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.441 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.437 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HA ' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.722 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.4 OUTLIER -71.16 -46.4 66.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.59 -30.45 71.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.371 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -173.49 153.26 2.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -75.79 169.97 17.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.529 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.1 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.882 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 27' ' ' LEU . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.77 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.427 ' N ' HG22 ' A' ' 53' ' ' ILE . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.431 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.733 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.8 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.53 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.585 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -165.95 164.72 18.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.8 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD12 HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -161.21 -65.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.173 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.4 p -155.72 132.15 5.95 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.6 Cg_exo -69.72 179.3 3.77 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.256 2.637 . . . . 10.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.721 -0.656 . . . . 10.0 110.158 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.731 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.398 0 O4'-C1'-C2' 106.98 0.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.747 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.902 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.902 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O5'-C5' 119.03 -1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.712 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C4'-C3' 104.738 -0.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.712 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C4'-C3' 104.682 -0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.975 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-N19 109.164 1.705 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.975 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.316 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.47 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.362 0 O4'-C1'-N19 109.242 1.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.722 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.473 2.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O3'-P-O5' 101.041 -1.557 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 106.918 0.744 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.456 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 104.515 -1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.907 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.983 0.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.206 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.511 2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.206 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.443 2 N19-C1'-C2' 103.829 -6.482 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.585 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.011 1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.784 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.248 1.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.84 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.84 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.163 0.967 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.502 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.77 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.186 0 O4'-C1'-N19 109.083 1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.646 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O5'-C5' 118.578 -1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 108.957 1.447 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.165 1.707 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.611 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 102.145 -0.977 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.765 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.026 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.765 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.583 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 107.137 0.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.525 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.603 1.004 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.522 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.166 0.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 106.988 0.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.27 -48.68 59.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -178.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.6 mt-30 -55.16 -37.04 66.47 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.549 0.203 . . . . 10.0 111.549 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.47 158.76 2.32 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -78.12 -175.47 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.517 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.548 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.586 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.812 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.648 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.482 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.812 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.426 ' N ' HG22 ' A' ' 53' ' ' ILE . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.467 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.503 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.752 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.752 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.478 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.62 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.436 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.98 164.27 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -72.34 -75.73 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -137.23 -68.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 179.54 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 84' ' ' LEU . 2.7 p -154.73 131.89 6.16 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.228 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -64.63 170.95 9.04 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.929 2.419 . . . . 10.0 112.345 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.637 -1.173 . . . . 10.0 109.481 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.796 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.466 0 O4'-C4'-C3' 104.904 -0.696 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.796 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.856 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.856 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.604 -0.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.741 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.741 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C4'-C3' 104.507 -1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.936 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.819 1.273 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.936 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.408 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 O4'-C1'-N19 109.202 1.752 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.484 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.176 0 O3'-P-O5' 100.955 -1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.463 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.126 0 O3'-P-O5' 101.069 -1.543 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.463 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.565 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.041 0.855 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.882 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.125 0.931 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.148 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.888 0 O4'-C1'-N19 109.719 2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.148 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.637 2.487 2 N19-C1'-C2' 103.489 -6.694 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.579 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.777 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 108.752 1.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.859 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.859 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.45 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.759 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 109.34 1.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.663 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.062 1.577 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.332 -1.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.555 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.601 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 104.701 -0.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 P-O5'-C5' 119.35 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.203 1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.486 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.52 -1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.499 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.499 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.997 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.4 ptp . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.87 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.7 OUTLIER -72.52 -48.11 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.3 mt-30 -52.74 -33.53 48.62 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.922 0.391 . . . . 10.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.4 154.41 1.67 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.4 m -76.61 172.13 13.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.431 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.525 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.56 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.1 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.851 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 27' ' ' LEU . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.584 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.518 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HG3' ' P ' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.764 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.631 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.451 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.795 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.431 ' N ' HG22 ' A' ' 53' ' ' ILE . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.486 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.745 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.745 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.571 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.514 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.626 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.647 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.443 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.647 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -168.1 164.37 13.5 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -66.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.357 0.41 . . . . 10.0 110.583 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -70.9 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p -155.68 134.62 7.6 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.365 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 24.4 Cg_exo -61.04 159.02 31.51 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.838 2.359 . . . . 10.0 111.664 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.32 -0.848 . . . . 10.0 110.021 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.826 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.433 -0.45 0 O4'-C1'-C2' 106.949 0.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.826 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.849 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.849 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.651 1.063 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.768 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-N19 108.655 1.069 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.768 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.695 1.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.98 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 109.198 1.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.98 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.016 1.52 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.426 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.248 0 O4'-C1'-N19 109.002 1.503 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.87 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.202 0 O4'-C1'-N19 109.587 2.234 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.401 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.873 -1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.594 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 C2'-C3'-O3' 113.662 1.134 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.594 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.172 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.927 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.141 0.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.149 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.872 0 O4'-C1'-N19 109.339 1.924 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.149 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.495 -2.251 2 N19-C1'-C2' 104.128 -6.295 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.665 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-N19 109.034 1.542 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.772 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.849 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.132 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.849 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.215 1.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.458 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.219 1.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.764 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.346 1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.641 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.942 1.427 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C4'-C3' 104.51 -1.09 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.092 1.614 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.561 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C4'-C3' 104.525 -1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.561 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.526 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.207 1.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.511 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.085 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.194 0.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.484 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.689 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.14 -49.17 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.369 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.517 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.3 mt-30 -53.29 -37.23 62.03 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.775 0.322 . . . . 10.0 110.583 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.13 155.99 1.62 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.8 m -77.88 174.71 10.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.509 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.582 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.853 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.853 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.687 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.769 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.653 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.417 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' N ' HG22 ' A' ' 53' ' ' ILE . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.4 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.485 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.604 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 73' ' ' LYS . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.431 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.485 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.69 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.97 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -156.21 -64.69 0.11 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.874 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.9 p -150.73 129.83 6.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.1 Cg_exo -72.3 159.84 48.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.941 2.428 . . . . 10.0 111.207 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.411 -0.804 . . . . 10.0 110.354 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.768 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O4'-C1'-C2' 106.855 0.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.768 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.66 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.866 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 108.981 1.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.866 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O3'-P-O5' 102.146 -0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.704 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.961 0.783 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.706 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 O4'-C1'-C2' 107.228 1.025 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.95 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.698 0 O4'-C1'-N19 109.139 1.674 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.95 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 108.7 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.41 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 109.128 1.66 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.689 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.413 2.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.596 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 100.821 -1.673 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.596 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.619 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.947 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.124 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.663 2.328 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.124 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.373 2 N19-C1'-C2' 104.018 -6.364 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.64 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.089 0 O4'-C1'-N19 109.159 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.763 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.834 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.1 0.909 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.834 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.384 1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.477 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 107.129 0.936 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.769 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.188 0 O4'-C1'-N19 109.272 1.84 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.651 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.31 -1.619 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 108.965 1.456 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 P-O5'-C5' 118.978 -1.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.745 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 106.998 0.817 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.745 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C4'-C3' 104.747 -0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.636 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.521 -1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.543 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.543 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.049 0.863 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.542 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.041 -0.725 . . . . 10.0 109.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.5 m -98.06 13.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -97.59 -59.7 1.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.465 -0.894 . . . . 10.0 111.11 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -177.9 156.33 1.07 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.26 170.13 17.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.418 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.669 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.887 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.594 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.761 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.685 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.887 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.425 ' N ' HG22 ' A' ' 53' ' ' ILE . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' HE1' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.784 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.67 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.638 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.615 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.57 159.89 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.55 -66.48 0.56 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.576 0.547 . . . . 10.0 110.063 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.11 -69.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.679 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.9 p -156.38 134.29 7.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.619 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 22.1 Cg_exo -64.04 158.08 49.67 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.084 2.522 . . . . 10.0 112.334 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.646 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.804 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.878 0.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.804 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.083 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.915 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.905 1.381 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.915 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.714 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.023 0.839 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.727 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.575 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.954 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.991 1.489 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.954 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.478 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.405 0 O4'-C1'-N19 109.524 2.156 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.478 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O3'-P-O5' 100.519 -1.832 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.604 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O3'-P-O5' 101.525 -1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.604 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C2'-C3'-O3' 113.102 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.603 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.949 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.592 0.99 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.15 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.99 0 O4'-C1'-N19 109.874 2.593 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.15 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.638 2.573 2 N19-C1'-C2' 103.726 -6.546 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.667 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.119 1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.82 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.847 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.068 0.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.847 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.358 1.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.509 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.114 0.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.761 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.207 1.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.673 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 P-O5'-C5' 118.203 -1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.409 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.105 1.632 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.437 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 108.836 1.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.472 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O3'-P-O5' 101.474 -1.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.67 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.96 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.67 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.761 1.202 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.629 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 108.689 1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.581 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.581 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-N19 108.696 1.12 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.5 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.468 -0.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 16.7 ptm . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.835 -0.432 . . . . 10.0 109.835 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.822 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -71.39 -46.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.761 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 6.7 mt-30 -50.82 -35.48 32.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.577 0.548 . . . . 10.0 110.391 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.2 p -175.39 155.05 1.78 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.74 173.28 11.31 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.5 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.576 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.89 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.427 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.625 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.497 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.809 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.773 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.484 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.927 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 21' ' ' SER . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.644 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.644 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.468 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.2 165.25 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -74.18 -55.6 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.19 -64.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.161 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 7.3 p -161.47 139.2 6.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 11.2 Cg_exo -68.93 167.56 22.97 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.793 2.328 . . . . 10.0 110.73 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.933 -0.556 . . . . 10.0 111.06 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.933 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C4'-C3' 104.717 -0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.933 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.871 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.895 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.87 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.895 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.628 1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.759 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O3'-P-O5' 102.372 -0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.759 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.683 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.91 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.055 1.569 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.91 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.75 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.47 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 108.914 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.822 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.3 0 O4'-C1'-N19 109.773 2.466 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.589 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 O3'-P-O5' 99.51 -2.363 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.702 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 113.817 1.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.702 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.861 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.022 0.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.166 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.596 2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.166 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.46 2 N19-C1'-C2' 103.815 -6.491 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.712 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-N19 109.075 1.594 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.86 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-N19 108.772 1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.905 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.615 0.701 0 O4'-C1'-C2' 107.043 0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.905 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.826 1.016 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.497 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.773 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.506 2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.633 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 P-O5'-C5' 118.528 -1.483 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 108.911 1.389 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.425 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.459 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.855 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.689 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C4'-C3' 104.74 -0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.689 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 104.63 -0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.505 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 104.461 -1.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.617 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 102.612 -0.73 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.617 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ptp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.566 HG22 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -109.04 12.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 109.995 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.37 -51.02 61.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.728 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -173.44 152.43 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 172.47 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.186 0.304 . . . . 10.0 110.78 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.521 ' HB3' ' P ' ' B' ' 8' ' ' ' DT' . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.813 ' HG3' ' H72' ' B' ' 8' ' ' ' DT' . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.837 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.717 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.837 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.47 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD2' " H2'" ' C' ' 22' ' ' ' DC' . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.705 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.441 ' N ' HG22 ' A' ' 53' ' ' ILE . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.629 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.807 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 67' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.641 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.463 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -164.12 163.4 23.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.03 -34.75 75.35 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.541 0.736 . . . . 10.0 112.839 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 2.0 tm? -63.82 -33.67 76.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.768 -177.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 5.0 m -91.1 109.11 33.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.369 0.604 . . . . 10.0 110.299 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HD3' ' O ' ' A' ' 84' ' ' LEU . 5.4 Cg_exo -73.02 159.72 47.25 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 123.202 2.602 . . . . 10.0 112.471 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 10.0 110.138 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.818 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O4'-C4'-C3' 104.75 -0.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.818 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-N19 108.534 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.82 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.812 1.264 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.82 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.292 1.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.687 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-N19 108.477 0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.717 " H3'" HG21 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.55 -1.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.929 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 108.912 1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.929 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.199 0.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.472 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.232 0 O4'-C1'-N19 109.393 1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.566 " H2'" HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.288 0 P-O5'-C5' 118.009 -1.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.597 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.938 0 O3'-P-O5' 100.989 -1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.597 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.184 0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.616 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 104.801 -0.799 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.881 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.123 0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.175 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.494 2.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.175 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.278 2 N19-C1'-C2' 103.401 -6.75 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.652 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.158 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.764 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.845 0 O4'-C1'-N19 108.685 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.875 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.875 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.4 1.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.486 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.703 " H2'" ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 109.254 1.818 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.676 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.992 1.49 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.249 1.811 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.705 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.456 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O3'-P-O5' 101.679 -1.222 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.634 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.634 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.82 1.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.602 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.619 1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.563 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.08 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.637 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.637 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 N19-C1'-C2' 115.585 0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.9 m -83.93 34.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.43 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 39.8 mt-30 -113.99 -58.93 2.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.88 157.18 1.44 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -79.08 173.49 12.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.519 ' HB3' ' OP1' ' B' ' 8' ' ' ' DT' . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.741 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.72 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.702 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.457 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.761 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.702 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.741 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.436 ' HA ' ' O ' ' A' ' 21' ' ' SER . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.526 ' HB2' ' CE1' ' A' ' 63' ' ' PHE . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.458 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -168.68 160.45 10.67 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.28 -72.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.794 0.684 . . . . 10.0 110.151 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -148.33 -69.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.405 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.82 129.24 6.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -67.85 157.87 59.85 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.796 2.331 . . . . 10.0 111.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.823 -0.608 . . . . 10.0 110.781 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.78 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C4'-C3' 104.795 -0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.78 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.598 0.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.894 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.894 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.689 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.088 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.692 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.24 1.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.962 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.51 -0.757 0 O4'-C1'-N19 109.169 1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.962 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.068 1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.452 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 O4'-C1'-N19 108.758 1.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.452 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 O4'-C1'-N19 109.521 2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.44 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.148 0 O3'-P-O5' 101.143 -1.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.547 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C2'-C3'-O3' 113.698 1.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.547 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.925 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.168 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 109.356 1.945 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.168 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.325 2 N19-C1'-C2' 103.84 -6.475 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.628 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.038 1.548 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.801 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 108.924 1.404 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.801 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.638 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.457 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.177 0.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.761 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.077 1.596 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.644 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 P-O5'-C5' 118.663 -1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.438 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.901 1.376 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.831 1.289 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.838 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.838 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.673 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.3 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.614 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.614 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.553 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 N19-C1'-C2' 115.74 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 14.2 ptp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.693 HG22 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -110.61 12.89 8.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.507 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.606 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 19.8 mt-30 -68.29 -41.04 81.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.974 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.4 p -175.32 154.7 1.75 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 175.36 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.185 0.303 . . . . 10.0 110.213 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.511 ' NE2' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.841 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.783 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.841 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.432 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.784 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.444 ' N ' HG22 ' A' ' 53' ' ' ILE . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.511 ' HE2' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.657 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.655 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.657 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.539 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 77' ' ' VAL . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.5 174.9 11.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.25 -34.82 68.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.635 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.52 -37.97 88.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.083 -0.962 . . . . 10.0 112.455 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -76.19 115.97 51.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.094 0.473 . . . . 10.0 111.666 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 2.9 Cg_exo -72.5 164.14 36.5 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.326 2.684 . . . . 10.0 111.408 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' HB3' ' HB ' ' A' ' 79' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.78 -1.105 . . . . 10.0 109.81 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.855 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 106.99 0.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.855 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.78 1.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.844 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.921 1.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.844 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.656 1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.985 0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.783 " H3'" HG21 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.774 1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.985 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.722 0 O4'-C1'-N19 109.058 1.572 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.985 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 108.927 1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.372 0 O4'-C1'-N19 109.214 1.768 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.693 " H2'" HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 O4'-C1'-N19 109.761 2.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.601 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 100.551 -1.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.639 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.159 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.756 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.144 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.182 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-N19 109.425 2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.182 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.292 2 N19-C1'-C2' 104.027 -6.358 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.712 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.947 1.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.794 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.996 0 O4'-C1'-N19 108.852 1.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.794 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.578 0.972 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.757 ' C7 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.548 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-C2' 107.139 0.944 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.747 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.051 1.564 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.647 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.461 2.077 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.073 1.592 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.413 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.674 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 104.673 -0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.674 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 108.582 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.584 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.261 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.532 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.784 1.23 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.576 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 106.95 0.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.576 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.952 0.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.431 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 16.8 ptp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -122.76 12.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.45 HE22 ' H41' ' B' ' 12' ' ' ' DC' . 63.9 mt-30 -62.6 -36.14 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -175.76 155.83 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 -179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.33 175.52 10.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' HB2' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.514 ' HD2' ' O ' ' A' ' 53' ' ' ILE . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.842 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.466 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD3' ' HA ' ' A' ' 74' ' ' GLU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.842 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' OP1' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.502 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.698 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.76 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.82 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.422 ' N ' HG22 ' A' ' 53' ' ' ILE . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.61 ' HG ' ' HE1' ' A' ' 63' ' ' PHE . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.547 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.66 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HE1' ' HG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.649 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.66 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.46 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.73 172.77 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.76 -35.36 62.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.06 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.85 -42.68 94.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.639 -0.709 . . . . 10.0 111.627 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.5 119.58 76.64 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 10.0 110.781 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.17 146.71 95.92 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.124 2.55 . . . . 10.0 112.185 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 117.576 -1.202 . . . . 10.0 109.248 -179.511 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.789 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 106.933 0.757 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.789 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.738 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.852 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-N19 108.859 1.324 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.852 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O3'-P-O5' 101.983 -1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.755 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.542 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.755 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.716 1.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.937 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 109.024 1.529 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.937 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.772 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.486 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.332 0 O4'-C1'-N19 109.087 1.608 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.538 " H2'" ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.233 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.555 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.51 -1.837 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.555 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O3'-P-O5' 102.351 -0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.547 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-C2' 107.118 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.866 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.02 0.836 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.169 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 109.573 2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.169 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.323 2 N19-C1'-C2' 103.801 -6.499 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.654 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.315 -1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.83 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.912 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.912 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.324 1.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.541 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.76 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.272 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.669 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 P-O5'-C5' 118.261 -1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 109.197 1.746 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.436 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.367 -1.233 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.582 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.601 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.582 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.638 H2'' ' C8 ' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.801 1.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.638 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.478 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.581 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.935 0.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.581 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.921 0.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HA ' ' A' ' 51' ' ' SER . 1.7 mpt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.48 0.181 . . . . 10.0 110.574 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.605 HG22 ' C8 ' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -135.55 22.63 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -178.454 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 26.0 mt-30 -62.11 -37.04 83.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.563 -0.455 . . . . 10.0 110.941 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.07 165.29 2.88 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.114 0.259 . . . . 10.0 111.259 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 165.48 24.05 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.498 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.484 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.505 ' NE2' ' HE2' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.597 ' HB3' HD13 ' A' ' 72' ' ' LEU . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 49' ' ' LYS . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.474 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.615 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' SER . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.505 ' HE2' ' NE2' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.579 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.605 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp -173.37 170.76 4.15 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.75 -54.16 12.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.489 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.046 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.49 144.95 53.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.811 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -64.43 158.4 49.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.291 1.994 . . . . 10.0 112.192 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.421 -0.8 . . . . 10.0 110.316 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.789 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.986 0.806 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.789 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.799 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.149 1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.799 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.681 1.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.77 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.77 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.79 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-N19 109.005 1.507 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.79 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 109.056 1.57 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . 0.415 ' O6 ' ' HE2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.008 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DG' . . . . . 0.605 ' C8 ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.514 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.161 0 O3'-P-O5' 100.801 -1.684 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DC' . . . . . 0.676 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C2'-C3'-O3' 113.548 1.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DA' . . . . . 0.676 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 107.067 0.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.807 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 106.976 0.796 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' ' DC' . . . . . 1.197 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.911 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ' DG' . . . . . 1.197 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.368 2 N19-C1'-C2' 103.375 -6.766 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.582 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.813 1.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DG' . . . . . 0.865 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-N19 108.856 1.32 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.865 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 N19-C1'-C2' 115.644 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.546 ' C6 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.257 1.052 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.474 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.046 1.558 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.619 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.946 1.432 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DC' . . . . . 0.416 H2'' ' OP2' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.248 1.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . 0.574 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O3'-P-O5' 101.562 -1.283 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.687 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 108.645 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ' DA' . . . . . 0.588 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.109 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ' DC' . . . . . 0.526 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.04 0.854 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.519 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.67 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.494 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 27' ' ' LEU . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.557 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.693 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.867 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.693 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.892 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.67 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.606 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.449 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.654 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.45 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.654 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mt . . . . . 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.67 ' HG ' ' HG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.521 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.496 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.535 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.475 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.674 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.641 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.675 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.709 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.675 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.67 ' HG ' ' HG ' ' A' ' 5' ' ' CYS . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.674 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.592 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.2 mt . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.5 m . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.565 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.881 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.419 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.598 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.81 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.605 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.541 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.767 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.672 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.767 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.61 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.635 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.49 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.456 -0.131 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.523 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.815 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.815 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.667 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.667 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.477 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.719 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.78 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.552 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.608 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' OE2' ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.418 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.637 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.509 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.644 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.51 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.617 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.882 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 27' ' ' LEU . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.555 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.591 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.617 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.733 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.49 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.8 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.53 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.585 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.517 -0.179 . . . . 10.0 110.517 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.529 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.548 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.812 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.648 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.812 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.575 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.606 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.416 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.752 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.752 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.62 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.436 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.4 m . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.431 -0.211 . . . . 10.0 110.431 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.515 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.851 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 27' ' ' LEU . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.584 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.519 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.631 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.795 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.557 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.589 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.606 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.745 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.745 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 70' ' ' LYS . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.626 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.647 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.443 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.647 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.8 m . . . . . 0 N--CA 1.451 -0.421 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.513 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.853 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.853 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.687 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.653 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.559 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.625 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.441 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.631 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.604 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.724 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 73' ' ' LYS . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.431 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.518 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.887 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.594 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.685 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.887 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.619 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.456 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.695 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.784 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.67 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.65 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.638 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.615 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.491 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.596 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.89 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.487 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.625 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.433 ' HB ' ' HE3' ' A' ' 49' ' ' LYS . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.809 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.927 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.565 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.412 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.596 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.644 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.644 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.538 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.468 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.328 0 CA-C-O 120.708 0.29 . . . . 10.0 110.78 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.536 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.63 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.837 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.837 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.705 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.56 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.63 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.56 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.44 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.629 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.807 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 67' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.641 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.463 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.507 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.624 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.741 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.72 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.422 ' CD1' ' O ' ' A' ' 46' ' ' LYS . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.702 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.702 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.741 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.572 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.624 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.572 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.489 ' CE1' ' HG ' ' A' ' 10' ' ' CYS . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.584 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HG2' ' H ' ' A' ' 65' ' ' ARG . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.458 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.174 0 N-CA-C 110.213 -0.291 . . . . 10.0 110.213 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.52 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.714 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.841 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.841 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.428 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.784 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.567 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.606 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.714 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.657 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.655 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.657 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.539 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 77' ' ' VAL . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.462 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.179 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.552 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.649 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.842 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD3' ' HA ' ' A' ' 74' ' ' GLU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.516 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.842 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.698 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.82 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.557 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.649 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.487 ' ND1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.627 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.66 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HE1' ' HG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.649 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.66 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.46 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' HA ' ' ND1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.665 0.269 . . . . 10.0 110.498 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.484 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.516 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.705 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.597 ' HB3' HD13 ' A' ' 72' ' ' LEU . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 49' ' ' LYS . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' O ' ' HE3' ' A' ' 24' ' ' LYS . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.487 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.55 ' SG ' ' OE2' ' A' ' 56' ' ' GLU . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.59 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.55 ' OE2' ' SG ' ' A' ' 54' ' ' CYS . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.705 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.579 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.417 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.605 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp . . . . . 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.628 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.519 -0.548 . . . . 10.0 109.519 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -98.32 30.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 112.664 0.616 . . . . 10.0 112.664 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.628 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.2 mt-30 -110.46 -59.81 1.89 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.297 -0.561 . . . . 10.0 110.388 178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -178.04 154.02 0.85 Allowed 'General case' 0 C--O 1.232 0.164 0 N-CA-C 109.845 -0.428 . . . . 10.0 109.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.22 169.5 18.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -73.74 3.92 5.83 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 120.928 0.394 . . . . 10.0 111.895 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.54 -174.38 4.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.154 0.502 . . . . 10.0 111.197 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -104.13 94.57 5.45 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.713 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.52 -0.48 61.45 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.806 -0.711 . . . . 10.0 114.32 177.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.1 t -80.3 72.85 7.17 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.57 0.685 . . . . 10.0 111.962 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.4 mttt -85.96 46.84 1.37 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.48 0.657 . . . . 10.0 109.308 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -85.72 48.9 1.67 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 115.153 -0.93 . . . . 10.0 111.266 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.562 ' HD2' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -32.0 128.78 0.2 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 113.7 -1.591 . . . . 10.0 110.653 177.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.37 106.77 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.468 1.105 . . . . 10.0 112.555 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 4.2 t70 -132.06 105.4 7.36 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 108.196 -1.039 . . . . 10.0 108.196 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -25.73 48.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.915 -1.038 . . . . 10.0 112.276 -178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.43 -34.31 77.66 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.559 0.695 . . . . 10.0 110.044 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.59 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -88.46 144.49 33.86 Favored Pre-proline 0 C--N 1.321 -0.644 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.649 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -80.68 76.51 4.48 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 121.828 1.685 . . . . 10.0 114.1 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.59 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.0 m -147.93 146.13 18.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.952 0.406 . . . . 10.0 110.053 177.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 43.3 p -121.66 161.15 23.0 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.203 -1.036 . . . . 10.0 108.203 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.09 160.6 15.68 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.278 -0.569 . . . . 10.0 110.425 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.67 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.8 177.35 11.59 Favored 'General case' 0 C--O 1.204 -1.298 0 C-N-CA 123.931 0.892 . . . . 10.0 108.968 -178.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.6 mtpt -111.35 166.74 10.86 Favored 'General case' 0 C--N 1.313 -0.998 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.892 ' CD1' HD11 ' A' ' 53' ' ' ILE . 3.0 m-85 -60.55 155.96 46.23 Favored Pre-proline 0 N--CA 1.47 0.569 0 CA-C-N 117.772 0.26 . . . . 10.0 110.623 178.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.494 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 58.4 Cg_endo -70.03 75.26 1.34 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.624 2.216 . . . . 10.0 110.216 176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' A' ' 27' ' ' LEU . 15.7 mt -67.4 -24.54 65.68 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.557 0.694 . . . . 10.0 110.69 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.6 p -91.57 7.3 42.09 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.992 -1.004 . . . . 10.0 110.5 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -141.86 60.41 11.1 Favored Pre-proline 0 C--O 1.221 -0.428 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -48.37 -58.98 1.42 Allowed 'Trans proline' 0 C--O 1.219 -0.437 0 C-N-CA 123.819 3.012 . . . . 10.0 116.189 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.3 m -50.53 -46.77 57.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 118.753 0.706 . . . . 10.0 109.502 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.606 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.3 tm? -66.29 -36.03 81.91 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.159 -0.928 . . . . 10.0 108.94 178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.498 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 49.4 t -60.95 -36.29 78.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 122.639 1.209 . . . . 10.0 108.881 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -67.77 -31.73 71.82 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 112.996 -1.911 . . . . 10.0 112.725 -177.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.437 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.04 -18.37 60.85 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 117.498 -1.681 . . . . 10.0 109.59 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -63.14 -30.56 71.69 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 107.571 -1.27 . . . . 10.0 107.571 178.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -63.55 -35.01 79.06 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 108.37 -0.974 . . . . 10.0 108.37 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.38 -24.88 67.79 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.11 -0.95 . . . . 10.0 110.691 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.45 -25.94 28.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.847 -0.615 . . . . 10.0 109.431 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.46 49.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 122.03 0.919 . . . . 10.0 108.635 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 14.96 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.082 -1.417 . . . . 10.0 114.114 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.68 150.14 25.74 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 121.805 -0.559 . . . . 10.0 111.334 -179.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -57.24 -41.69 80.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.394 0.616 . . . . 10.0 109.836 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.11 63.07 2.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.076 -0.965 . . . . 10.0 110.187 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.3 t80 -69.43 117.32 10.91 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.191 -1.041 . . . . 10.0 108.191 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.557 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.82 -179.47 0.53 Allowed Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.123 -179.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.693 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.0 Cg_exo -49.42 160.29 1.02 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 121.889 1.726 . . . . 10.0 113.986 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.487 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.5 p -79.29 -169.04 1.71 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 113.951 -1.477 . . . . 10.0 114.013 -175.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.867 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.01 -4.74 0.35 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.318 -1.31 . . . . 10.0 114.22 -178.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.742 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.4 m-85 -87.42 -27.59 22.65 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 119.475 -0.89 . . . . 10.0 109.929 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.693 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.1 p -74.5 173.09 10.84 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.696 -0.483 . . . . 10.0 109.696 179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.78 144.5 36.53 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.212 0.529 . . . . 10.0 112.331 -177.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.892 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.7 165.07 7.85 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 CA-C-N 115.357 -0.838 . . . . 10.0 109.364 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.559 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.9 p -114.25 157.39 22.79 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 118.642 0.656 . . . . 10.0 112.352 -178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.62 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.7 p -46.04 -59.96 2.55 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 116.351 1.982 . . . . 10.0 116.351 -175.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.71 -23.64 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.612 1.708 . . . . 10.0 115.612 -178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.43 ' HA ' ' HB ' ' A' ' 80' ' ' ILE . 83.6 m-70 -81.07 -17.3 50.59 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 113.832 1.049 . . . . 10.0 113.832 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.67 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.21 166.91 20.77 Favored 'General case' 0 CA--C 1.507 -0.675 0 C-N-CA 120.384 -0.526 . . . . 10.0 110.318 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.44 144.61 74.45 Favored Pre-proline 0 N--CA 1.437 -1.108 0 CA-C-N 115.389 -0.823 . . . . 10.0 109.605 178.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.06 -35.4 18.95 Favored 'Trans proline' 0 C--N 1.332 -0.302 0 C-N-CA 123.604 2.869 . . . . 10.0 111.665 178.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.66 -42.68 88.96 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.99 -1.004 . . . . 10.0 110.498 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.61 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.13 -0.27 57.03 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-N 115.605 -0.725 . . . . 10.0 112.31 -178.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -36.77 -53.47 0.92 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.097 1.517 . . . . 10.0 115.097 -177.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -174.42 -140.06 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.378 0.535 . . . . 10.0 112.432 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.8 ptm180 -62.42 -12.22 20.41 Favored 'General case' 0 N--CA 1.464 0.241 0 C-N-CA 123.099 0.559 . . . . 10.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -84.41 6.94 21.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.293 0.568 . . . . 10.0 109.716 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.516 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.0 t -71.99 -106.27 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.645 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -99.04 -74.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.942 0.349 . . . . 10.0 111.942 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -96.57 -70.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.18 -0.464 . . . . 10.0 111.008 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 5.8 tppt? -146.03 1.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.792 -0.363 . . . . 10.0 111.2 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.737 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.49 177.22 9.91 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.809 -0.356 . . . . 10.0 111.41 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.737 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.23 168.76 1.32 Allowed 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.632 0.582 . . . . 10.0 111.857 -178.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.36 121.19 21.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.606 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 1.1 pm0 -52.4 -17.43 1.19 Allowed 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.572 -0.74 . . . . 10.0 112.91 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -103.07 13.11 34.96 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 116.194 -0.457 . . . . 10.0 112.217 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.449 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.16 127.59 53.46 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.085 0.469 . . . . 10.0 112.132 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.75 135.76 25.4 Favored Pre-proline 0 CA--C 1.536 0.439 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.891 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.654 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.6 Cg_endo -49.07 104.15 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 124.514 3.476 . . . . 10.0 113.86 -178.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 t -106.77 -15.02 14.85 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.11 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.45 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.68 6.96 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.789 -178.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.654 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.7 m-30 -45.23 -51.76 10.34 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.346 0.499 . . . . 10.0 112.346 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mt -169.81 169.07 8.58 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.237 0.335 . . . . 10.0 110.742 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -73.02 -49.28 29.72 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 178.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG12 ' A' ' 85' ' ' VAL . 0.3 OUTLIER -165.77 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.221 179.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.46 HG12 HD12 ' A' ' 84' ' ' LEU . 2.4 p -148.83 128.72 6.54 Favored Pre-proline 0 N--CA 1.452 -0.372 0 CA-C-O 120.958 0.409 . . . . 10.0 110.59 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 3.3 Cg_exo -72.51 168.39 24.48 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.954 2.436 . . . . 10.0 112.387 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.469 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.247 -0.882 . . . . 10.0 110.062 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.838 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 O4'-C1'-C2' 106.893 0.721 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.838 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.618 1.022 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.88 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.059 0 O4'-C1'-N19 108.93 1.412 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.88 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.732 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.732 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-N19 108.958 1.447 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.91 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-N19 108.938 1.423 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.91 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-N19 108.88 1.35 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.504 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.417 -1.46 0 O4'-C1'-N19 108.841 1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.563 ' H8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.422 -1.154 0 O4'-C1'-N19 109.49 2.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.719 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O3'-P-O5' 101.238 -1.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.719 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.061 0.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.537 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.89 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 O4'-C1'-N19 108.589 0.987 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.165 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-N19 109.535 2.169 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.165 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.348 2 N19-C1'-C2' 103.896 -6.44 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.604 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-N19 109.144 1.68 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.71 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.737 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.71 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.077 0.888 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.631 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.322 1.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.487 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.742 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.409 2.011 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.677 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 P-O5'-C5' 118.818 -1.301 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.064 0 O4'-C1'-N19 109.019 1.523 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C1'-C2' 107.453 1.23 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.4 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 P-O5'-C5' 119.095 -1.128 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.674 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 104.615 -0.985 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.674 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.071 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.588 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 107.146 0.951 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.51 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C4'-C3' 104.645 -0.955 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.523 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.033 0.848 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.523 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.087 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.707 ' SD ' ' HA ' ' A' ' 51' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.702 ' O ' ' HD3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -75.12 13.65 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 121.758 0.789 . . . . 10.0 110.949 -179.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -93.01 -51.35 5.09 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.5 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 67.7 p -175.5 150.83 1.13 Allowed 'General case' 0 C--O 1.237 0.419 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -177.36 3.44 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 120.641 0.257 . . . . 10.0 110.691 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 t -79.86 -5.7 55.99 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.178 0.436 . . . . 10.0 112.178 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' O ' ' HD3' ' A' ' 46' ' ' LYS . . . -78.54 169.24 18.55 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.062 -0.398 . . . . 10.0 110.393 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -104.98 106.15 16.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.599 0.714 . . . . 10.0 110.439 -178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.44 18.64 Favored Glycine 0 C--N 1.311 -0.82 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.911 178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.429 ' C ' ' H ' ' A' ' 12' ' ' ASN . 47.9 t -69.68 73.5 0.39 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.087 0.773 . . . . 10.0 113.087 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -84.42 39.68 0.74 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.636 -0.876 . . . . 10.0 108.636 177.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.496 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 50.2 m-20 -79.02 48.0 0.81 Allowed 'General case' 0 CA--C 1.512 -0.495 0 CA-C-N 114.543 -1.208 . . . . 10.0 110.699 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.702 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -38.63 136.14 0.75 Allowed 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 113.611 -1.631 . . . . 10.0 111.151 178.35 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.535 ' N ' ' HD2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -32.37 107.25 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.158 0.911 . . . . 10.0 112.63 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -128.36 100.08 5.67 Favored 'General case' 0 CA--C 1.504 -0.804 0 N-CA-C 107.356 -1.35 . . . . 10.0 107.356 178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -52.22 -27.37 14.54 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.738 -1.119 . . . . 10.0 112.596 -178.197 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 41.6 m-20 -70.84 -25.36 62.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.141 0.496 . . . . 10.0 110.391 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -99.93 145.36 30.05 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.596 -179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -78.68 78.54 3.64 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 C-N-CA 122.388 2.059 . . . . 10.0 115.971 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.424 ' HA ' ' OG ' ' A' ' 55' ' ' SER . 3.4 m -148.43 144.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.023 0.44 . . . . 10.0 110.172 176.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 16.3 p -121.64 161.85 21.74 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.002 -0.74 . . . . 10.0 109.002 178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.654 ' CE1' ' HB3' ' A' ' 54' ' ' CYS . 3.2 m-85 -108.08 155.18 20.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.503 0.668 . . . . 10.0 110.396 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.674 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -151.22 177.82 9.85 Favored 'General case' 0 C--O 1.201 -1.468 0 CA-C-N 114.525 -1.216 . . . . 10.0 109.167 -179.052 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.16 167.15 10.93 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.089 -0.708 . . . . 10.0 109.089 178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.709 ' CD1' ' HA ' ' A' ' 49' ' ' LYS . 1.3 m-85 -60.32 156.83 38.13 Favored Pre-proline 0 N--CA 1.472 0.634 0 CA-C-N 117.902 0.319 . . . . 10.0 111.427 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.446 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 59.6 Cg_endo -70.25 72.66 1.67 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.984 2.456 . . . . 10.0 110.091 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.3 mt -66.43 -23.0 66.23 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.235 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 58.4 p -91.7 5.75 48.56 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.091 -0.959 . . . . 10.0 110.997 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.571 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 5.5 ttm105 -146.31 63.76 9.14 Favored Pre-proline 0 N--CA 1.443 -0.796 0 N-CA-C 108.273 -1.01 . . . . 10.0 108.273 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.581 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.7 Cg_endo -45.88 -52.08 7.45 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 123.663 2.908 . . . . 10.0 114.708 -177.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 1.4 m -50.02 -48.14 52.83 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.2 tm? -66.52 -35.96 81.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.783 -0.821 . . . . 10.0 108.783 178.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.649 ' SG ' ' HD2' ' A' ' 25' ' ' PHE . 42.6 t -59.85 -37.14 78.41 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 122.53 1.157 . . . . 10.0 108.966 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.436 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.0 OUTLIER -66.94 -34.08 76.99 Favored 'General case' 0 N--CA 1.425 -1.678 0 CA-C-N 112.709 -2.041 . . . . 10.0 112.576 -176.324 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -72.54 -21.84 61.11 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 117.388 -1.725 . . . . 10.0 109.431 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.673 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -61.87 -33.62 74.52 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 107.626 -1.249 . . . . 10.0 107.626 178.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -63.05 -37.25 86.45 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.299 -1.0 . . . . 10.0 108.299 178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -26.63 68.76 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.113 -0.949 . . . . 10.0 110.849 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.73 -27.3 29.04 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-O 121.26 0.553 . . . . 10.0 109.663 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -89.2 50.3 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 121.769 0.795 . . . . 10.0 108.894 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.34 13.53 0.12 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.792 -1.095 . . . . 10.0 112.938 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 42' ' ' ARG . 15.0 tpt180 -89.57 153.78 20.5 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.747 0.308 . . . . 10.0 111.361 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 42' ' ' ARG . 23.0 ttpp -72.88 163.74 27.68 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.406 -1.702 . . . . 10.0 106.406 174.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.08 28.05 16.94 Favored 'General case' 0 C--N 1.312 -1.053 0 C-N-CA 122.739 0.416 . . . . 10.0 110.532 179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.641 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -30.13 120.77 0.18 Allowed 'General case' 0 N--CA 1.473 0.694 0 O-C-N 124.243 0.964 . . . . 10.0 110.833 177.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.641 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.4 OUTLIER -56.69 -178.49 0.07 OUTLIER Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 115.0 -1.0 . . . . 10.0 112.137 -179.613 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.675 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 51.4 Cg_exo -51.78 159.01 3.91 Favored 'Trans proline' 0 C--N 1.351 0.675 0 C-N-CA 121.485 1.457 . . . . 10.0 113.118 -179.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.52 ' HB ' ' HD2' ' A' ' 49' ' ' LYS . 13.8 p -80.37 -175.69 5.26 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.39 -1.277 . . . . 10.0 113.631 -175.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.709 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -47.38 -14.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 114.321 1.23 . . . . 10.0 114.321 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.745 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.2 m-85 -79.66 -27.0 40.89 Favored 'General case' 0 N--CA 1.441 -0.885 0 C-N-CA 119.369 -0.932 . . . . 10.0 110.202 179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.707 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 4.3 p -74.49 171.56 13.56 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 119.663 -0.815 . . . . 10.0 109.218 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.82 143.39 36.45 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 121.065 0.46 . . . . 10.0 111.412 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.671 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.4 mp -110.58 165.89 5.71 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.631 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.329 -176.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.654 ' HB3' ' CE1' ' A' ' 22' ' ' PHE . 8.9 p -115.25 157.6 23.51 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 112.79 0.663 . . . . 10.0 112.79 -178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.601 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.7 p -41.47 -66.89 0.29 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 115.353 1.612 . . . . 10.0 115.353 -176.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -28.6 -27.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 115.92 1.822 . . . . 10.0 115.92 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -81.42 -16.86 50.83 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 113.453 0.909 . . . . 10.0 113.453 -178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.674 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -128.99 164.18 23.74 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 121.469 0.652 . . . . 10.0 110.549 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.412 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -79.99 147.93 66.94 Favored Pre-proline 0 N--CA 1.434 -1.227 0 CA-C-N 114.975 -1.011 . . . . 10.0 108.915 177.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.704 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 5.0 Cg_endo -46.29 -34.76 14.48 Favored 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 123.622 2.882 . . . . 10.0 111.32 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 1.1 m-20 -58.75 -44.92 90.69 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.742 -1.117 . . . . 10.0 110.945 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.592 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.11 1.24 57.28 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.855 -178.14 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -32.24 -63.31 0.2 Allowed 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -177.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -175.62 -133.51 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.469 0.577 . . . . 10.0 111.29 -177.888 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.504 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 3.6 ptm180 -67.33 -11.3 57.28 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.816 0.341 . . . . 10.0 111.579 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -91.41 7.65 40.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.073 0.463 . . . . 10.0 109.77 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 10.5 t -73.94 -111.11 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.618 -0.719 . . . . 10.0 111.97 -178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.45 -74.1 0.4 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.088 0.47 . . . . 10.0 111.316 -178.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.432 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 24.9 p-10 -105.54 -65.79 1.03 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.645 -0.707 . . . . 10.0 110.904 -179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 5.0 ttmm -147.01 1.02 0.75 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.319 -0.4 . . . . 10.0 110.653 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.57 175.46 11.5 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.688 -0.233 . . . . 10.0 110.806 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.703 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.49 166.61 3.93 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.541 0.526 . . . . 10.0 111.744 -178.822 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.15 121.81 24.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.422 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 13.6 tt0 -49.74 -28.07 5.68 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.026 -0.988 . . . . 10.0 112.706 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.79 18.77 14.97 Favored 'General case' 0 C--N 1.312 -1.043 0 N-CA-C 112.44 0.533 . . . . 10.0 112.44 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.443 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -124.48 128.01 48.34 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 121.406 0.622 . . . . 10.0 111.883 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -135.16 138.7 29.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 10.0 110.161 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.535 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.71 101.23 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 124.577 3.518 . . . . 10.0 113.522 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -105.33 -14.28 15.39 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.256 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.429 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.8 OUTLIER -73.64 5.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 115.186 -0.915 . . . . 10.0 112.243 -178.645 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 9.5 m-30 -45.5 -63.95 0.84 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 82' ' ' LEU . 6.2 mt -163.33 167.33 21.94 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.625 -0.509 . . . . 10.0 109.625 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -67.58 -47.42 69.8 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.534 -0.543 . . . . 10.0 109.534 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -155.18 -72.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.677 -0.692 . . . . 10.0 110.48 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.26 151.49 67.44 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.493 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.59 141.37 91.0 Favored 'Trans proline' 0 N--CA 1.474 0.336 0 C-N-CA 123.275 2.65 . . . . 10.0 112.8 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.5 mmt85 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.272 178.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.791 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 O4'-C1'-C2' 107.014 0.831 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.791 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-N19 108.609 1.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.839 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 109.026 1.532 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.839 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.094 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.753 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O3'-P-O5' 102.261 -0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.753 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.789 1.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.897 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-N19 108.969 1.462 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.897 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-N19 109.012 1.515 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.414 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.289 0 O4'-C1'-N19 108.895 1.368 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.478 ' C8 ' ' HA ' ' A' ' 1' ' ' MET . . . . . . . . 0 O5'--C5' 1.421 -1.179 0 P-O5'-C5' 118.091 -1.756 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.779 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O3'-P-O5' 100.623 -1.777 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.779 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.615 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.005 0 O4'-C1'-C2' 107.16 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.848 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.143 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.978 0 O4'-C1'-N19 109.818 2.523 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.143 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.321 2 N19-C1'-C2' 103.855 -6.466 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.621 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 109.122 1.652 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.834 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.834 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 O4'-C1'-C2' 107.115 0.923 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.69 ' C7 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.466 1.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.449 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C1'-C2' 107.104 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.745 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 O4'-C1'-N19 109.365 1.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.607 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.342 -1.599 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-N19 108.896 1.37 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.943 1.429 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.411 ' OP2' H2'' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 109.136 1.67 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.648 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C4'-C3' 104.514 -1.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.648 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-N19 108.764 1.205 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.504 " H5'" HH21 ' A' ' 65' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 O4'-C1'-N19 108.93 1.413 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.418 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.476 -1.124 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.49 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 107.153 0.958 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.49 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 O4'-C1'-C2' 106.982 0.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.594 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.6 ptp . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.898 -0.408 . . . . 10.0 109.898 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.958 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -73.65 -47.99 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 112.075 0.398 . . . . 10.0 112.075 -179.383 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.594 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 20.5 mt-30 -53.21 -32.28 47.3 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.005 0.431 . . . . 10.0 110.443 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.87 154.77 1.55 Allowed 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.644 -0.873 . . . . 10.0 108.644 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.5 m -76.59 171.61 14.38 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 110.082 -0.34 . . . . 10.0 110.082 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.04 5.11 3.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.303 -0.408 . . . . 10.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.82 -166.96 0.75 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.22 0.533 . . . . 10.0 111.233 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.506 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.5 t80 -105.13 83.91 2.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.567 -178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.23 11.4 52.32 Favored Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.326 -0.94 . . . . 10.0 113.847 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 51.0 t -82.06 73.99 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.22 0.51 . . . . 10.0 111.814 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -82.38 40.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.571 0.7 . . . . 10.0 109.949 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -85.51 48.71 1.63 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.272 -0.876 . . . . 10.0 111.77 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.571 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.3 OUTLIER -37.84 132.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.412 1.07 . . . . 10.0 109.311 177.371 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.13 106.73 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 O-C-N 124.337 1.023 . . . . 10.0 112.368 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 16.8 t0 -127.68 107.74 10.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 108.227 -1.027 . . . . 10.0 108.227 178.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.487 ' HD3' ' H ' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -56.23 -24.96 45.72 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 113.974 -1.466 . . . . 10.0 112.333 -179.11 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.02 -31.79 69.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.451 0.643 . . . . 10.0 110.154 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.565 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -91.37 146.63 33.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.109 -0.951 . . . . 10.0 109.227 179.308 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -84.14 77.21 3.31 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 121.834 1.69 . . . . 10.0 114.299 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.565 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -147.1 150.41 14.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-O 121.214 0.531 . . . . 10.0 110.519 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 13.4 p -122.76 162.09 22.72 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.608 -0.886 . . . . 10.0 108.608 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.95 161.16 15.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.455 0.645 . . . . 10.0 110.371 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.92 174.91 14.81 Favored 'General case' 0 C--O 1.205 -1.243 0 N-CA-C 108.563 -0.903 . . . . 10.0 108.563 -178.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.58 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 10.6 mtpt -109.0 166.98 10.43 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.881 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.03 156.0 21.92 Favored Pre-proline 0 N--CA 1.472 0.626 0 CA-C-N 118.354 0.525 . . . . 10.0 110.697 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.596 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 55.5 Cg_endo -69.3 74.61 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.672 2.248 . . . . 10.0 110.283 177.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.0 mt -68.08 -22.77 64.9 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.462 0.648 . . . . 10.0 110.578 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 52.8 p -95.05 8.76 41.93 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.284 -0.871 . . . . 10.0 110.605 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.457 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -141.81 60.07 10.65 Favored Pre-proline 0 C--O 1.22 -0.471 0 N-CA-C 107.927 -1.138 . . . . 10.0 107.927 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.8 Cg_endo -49.38 -59.25 1.3 Allowed 'Trans proline' 0 N--CA 1.474 0.339 0 C-N-CA 123.814 3.009 . . . . 10.0 116.734 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 15.1 m -51.51 -45.71 62.98 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 118.853 0.752 . . . . 10.0 109.378 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.6 tm? -66.33 -36.03 81.87 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.169 -0.923 . . . . 10.0 108.789 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.881 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.39 -36.83 78.99 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.593 1.187 . . . . 10.0 108.896 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.62 -31.93 72.29 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 113.081 -1.872 . . . . 10.0 112.809 -176.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.2 pt-20 -73.51 -18.65 61.07 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 117.766 -1.574 . . . . 10.0 109.584 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.0 m0 -62.51 -31.52 72.3 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.611 -1.255 . . . . 10.0 107.611 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 2.1 mm-40 -63.3 -35.57 80.79 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.378 -0.971 . . . . 10.0 108.378 178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.45 -27.9 69.31 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 115.071 -0.968 . . . . 10.0 110.434 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.36 -25.38 42.24 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.77 49.53 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 122.121 0.962 . . . . 10.0 108.505 178.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 15.26 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 113.897 -1.501 . . . . 10.0 113.963 -178.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.88 149.31 26.67 Favored 'General case' 0 C--N 1.319 -0.755 0 O-C-N 121.643 -0.661 . . . . 10.0 111.746 -179.224 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -54.52 -41.18 69.36 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.504 -0.771 . . . . 10.0 110.651 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.67 64.67 6.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.258 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.473 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 10.2 t80 -63.77 115.97 5.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -66.17 178.83 0.55 Allowed Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.349 -0.841 . . . . 10.0 111.603 -179.312 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.598 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.1 Cg_exo -49.9 161.15 1.01 Allowed 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 121.998 1.799 . . . . 10.0 114.176 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.37 -171.22 2.63 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 113.981 -1.463 . . . . 10.0 113.922 -175.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.749 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.03 -8.87 1.15 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.71 -1.586 . . . . 10.0 113.533 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.748 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 52.7 m-85 -79.42 -31.73 42.69 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 119.202 -0.999 . . . . 10.0 109.438 178.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.598 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 7.1 p -72.91 172.8 10.22 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 120.319 -0.553 . . . . 10.0 110.26 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.35 149.76 27.47 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-O 121.182 0.515 . . . . 10.0 111.984 -177.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.81 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -117.79 163.9 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 123.573 0.749 . . . . 10.0 109.143 -177.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.556 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.1 p -114.06 158.53 21.1 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.005 0.821 . . . . 10.0 112.482 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.605 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 34.4 p -48.82 -55.5 11.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 116.799 2.148 . . . . 10.0 116.799 -175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -17.01 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.234 1.568 . . . . 10.0 115.234 -177.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.549 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.4 m-70 -84.48 -17.63 38.46 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.791 1.034 . . . . 10.0 113.791 -178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.89 170.47 13.88 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 121.588 0.709 . . . . 10.0 110.677 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.78 145.23 57.4 Favored Pre-proline 0 N--CA 1.436 -1.149 0 CA-C-N 114.896 -1.047 . . . . 10.0 109.422 178.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.767 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.5 Cg_endo -46.69 -35.35 17.15 Favored 'Trans proline' 0 CA--C 1.516 -0.378 0 C-N-CA 123.543 2.829 . . . . 10.0 111.807 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.8 -44.34 86.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.86 -1.064 . . . . 10.0 110.214 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.672 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.93 1.14 57.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.15 -0.932 . . . . 10.0 112.438 -177.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.767 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -38.11 -53.64 1.4 Allowed 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 115.069 1.507 . . . . 10.0 115.069 -177.354 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -173.87 -142.22 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.858 0.688 . . . . 10.0 112.858 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.498 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 0.3 OUTLIER -62.97 -11.72 20.72 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.609 0.596 . . . . 10.0 112.609 -179.497 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -86.53 7.02 27.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.172 0.511 . . . . 10.0 110.144 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 14.1 t -68.6 -115.44 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.479 -0.782 . . . . 10.0 111.775 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.03 -74.48 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.291 -0.256 . . . . 10.0 111.545 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -88.16 -73.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.722 -0.391 . . . . 10.0 111.43 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.54 0.14 0.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.91 -0.316 . . . . 10.0 111.312 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.633 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.3 -178.13 6.62 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.56 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.672 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -58.96 162.98 3.76 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.265 0.555 . . . . 10.0 112.065 -178.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.424 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -73.59 121.89 21.37 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.989 -0.745 . . . . 10.0 108.989 179.135 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.61 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -52.3 -20.54 2.78 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.43 -0.805 . . . . 10.0 112.394 179.591 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.99 5.78 50.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.295 -0.411 . . . . 10.0 112.107 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -117.8 126.79 53.07 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.444 0.64 . . . . 10.0 112.137 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.81 134.17 23.05 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.322 179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.635 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -49.29 102.28 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 124.588 3.525 . . . . 10.0 114.367 -178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -103.42 -15.04 16.02 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.492 0.663 . . . . 10.0 109.926 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.49 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -73.91 6.36 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 115.159 -0.928 . . . . 10.0 111.294 -179.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.635 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.6 m-30 -44.45 -52.45 7.83 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.893 0.701 . . . . 10.0 112.893 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -169.45 164.1 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 123.439 0.462 . . . . 10.0 109.773 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -68.69 -72.66 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.538 0.524 . . . . 10.0 110.205 178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -140.23 -63.72 0.48 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.236 -0.438 . . . . 10.0 109.821 179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.406 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p -156.78 134.52 7.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.091 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 21.3 Cg_exo -63.1 157.56 48.61 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.812 2.341 . . . . 10.0 111.518 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.318 -0.773 0 CA-C-O 118.291 -0.861 . . . . 10.0 110.226 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.737 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 O4'-C1'-C2' 107.037 0.852 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.737 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C1'-N19 108.595 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.946 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 109.304 1.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.946 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.182 0.984 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.758 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 106.926 0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.758 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.984 1.481 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.933 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 109.224 1.78 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.933 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.489 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.305 0 O4'-C1'-N19 109.359 1.949 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.958 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.423 -1.086 0 O4'-C1'-N19 109.531 2.163 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O3'-P-O5' 100.743 -1.714 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.577 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O3'-P-O5' 102.087 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C4'-C3' 104.67 -0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.896 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 107.072 0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.178 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-N19 109.648 2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.178 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.468 2 N19-C1'-C2' 103.767 -6.52 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.559 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-N19 109.204 1.755 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.753 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-N19 108.632 1.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.817 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C1'-C2' 106.944 0.767 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.817 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.514 ' C8 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 107.164 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.748 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 O4'-C1'-N19 109.024 1.53 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.637 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-N19 109.129 1.662 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.404 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 109.19 1.738 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.437 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 108.923 1.403 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.478 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 O3'-P-O5' 101.75 -1.184 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.642 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.168 0.971 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.642 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-N19 108.551 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.584 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.502 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.525 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C4'-C3' 104.79 -0.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.525 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 O4'-C1'-C2' 107.079 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 2.2 ptp . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.18 -35.65 59.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.661 0.245 . . . . 10.0 111.661 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.598 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 28.4 mt-30 -50.8 -49.4 58.59 Favored 'General case' 0 CA--C 1.531 0.212 0 O-C-N 123.337 0.398 . . . . 10.0 111.33 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -176.33 160.65 2.16 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 m -79.63 -176.05 5.13 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.028 -0.36 . . . . 10.0 110.028 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -80.46 3.67 20.69 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.153 0.501 . . . . 10.0 111.511 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.57 -179.21 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.164 0.507 . . . . 10.0 111.867 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.402 ' CE2' ' HD3' ' A' ' 42' ' ' ARG . 3.2 t80 -103.79 88.34 3.03 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 10.0 110.644 -179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.37 4.87 34.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.414 -0.898 . . . . 10.0 113.692 178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.3 t -88.65 73.32 8.59 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-N 117.008 0.404 . . . . 10.0 111.864 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 28.8 mtpt -85.07 47.88 1.48 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.781 -0.822 . . . . 10.0 108.781 177.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -80.99 48.94 1.16 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.989 -1.005 . . . . 10.0 111.867 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -33.72 130.1 0.29 Allowed 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.874 1.359 . . . . 10.0 109.564 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.02 107.98 0.05 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.091 0.869 . . . . 10.0 112.227 -179.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.2 t0 -131.03 111.78 12.32 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 107.888 -1.153 . . . . 10.0 107.888 179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -60.59 -27.36 67.65 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.167 -0.924 . . . . 10.0 112.27 -178.099 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -70.94 -29.66 65.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.106 0.479 . . . . 10.0 110.408 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -87.95 140.16 31.0 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 115.643 -0.708 . . . . 10.0 109.746 179.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.36 76.4 4.25 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 122.133 1.889 . . . . 10.0 114.31 -178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.523 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.9 m -149.94 149.36 14.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.088 0.47 . . . . 10.0 110.175 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 2.3 p -123.9 162.39 23.42 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.315 -0.994 . . . . 10.0 108.315 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.01 161.34 15.26 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.4 -0.52 . . . . 10.0 110.938 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.612 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.69 176.1 12.8 Favored 'General case' 0 C--O 1.204 -1.312 0 CA-C-N 115.295 -0.866 . . . . 10.0 109.1 -178.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 25.3 mtpt -108.9 167.06 10.36 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.815 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.3 m-85 -59.45 158.03 22.78 Favored Pre-proline 0 N--CA 1.471 0.596 0 CA-C-N 118.374 0.534 . . . . 10.0 110.673 179.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 61.1 Cg_endo -70.9 73.92 1.85 Allowed 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.675 2.25 . . . . 10.0 110.152 176.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.0 mt -67.12 -25.64 66.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.42 0.628 . . . . 10.0 110.639 -178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.2 p -91.59 8.14 38.09 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.362 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.4 OUTLIER -141.03 59.61 11.1 Favored Pre-proline 0 C--O 1.219 -0.534 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -48.64 -59.18 1.34 Allowed 'Trans proline' 0 C--O 1.219 -0.425 0 C-N-CA 123.962 3.108 . . . . 10.0 116.042 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.527 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -50.53 -47.41 57.54 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.35 -0.611 . . . . 10.0 109.35 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.568 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.82 -35.9 81.99 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.212 -0.904 . . . . 10.0 108.939 178.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.815 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.4 t -60.29 -36.74 78.56 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-O 122.466 1.127 . . . . 10.0 108.693 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.73 -32.93 74.54 Favored 'General case' 0 N--CA 1.427 -1.594 0 CA-C-N 112.973 -1.921 . . . . 10.0 112.942 -176.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.3 pt-20 -73.77 -19.13 60.86 Favored 'General case' 0 CA--C 1.507 -0.679 0 C-N-CA 117.721 -1.592 . . . . 10.0 109.644 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.67 -31.21 72.05 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 107.62 -1.252 . . . . 10.0 107.62 178.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.55 -34.63 78.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.551 -0.907 . . . . 10.0 108.551 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.48 -22.8 67.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.781 -179.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.0 -27.41 23.25 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -89.93 48.63 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 121.859 0.838 . . . . 10.0 109.324 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -1.14 0.98 Allowed 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 114.337 1.236 . . . . 10.0 114.337 -177.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.449 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 6.7 tpt180 -76.66 144.82 39.2 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.766 -0.584 . . . . 10.0 111.059 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.667 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -53.81 -40.16 66.14 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.909 -0.587 . . . . 10.0 110.535 179.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.667 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -89.4 64.19 6.69 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 115.503 -0.771 . . . . 10.0 110.198 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.5 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 17.7 t80 -53.81 126.73 23.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.644 -1.162 . . . . 10.0 108.716 177.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -68.93 -179.34 0.52 Allowed Pre-proline 0 C--O 1.218 -0.597 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.895 -178.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.697 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.23 160.74 2.02 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.614 1.543 . . . . 10.0 112.926 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.471 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -78.44 -171.2 2.35 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.595 -1.184 . . . . 10.0 113.572 -175.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.719 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.46 -5.49 0.82 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.198 -1.364 . . . . 10.0 113.301 -178.76 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.742 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 57.6 m-85 -82.84 -29.74 29.21 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 119.289 -0.964 . . . . 10.0 109.611 178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.697 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.0 p -73.41 173.09 10.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.117 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.54 146.22 32.15 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.019 0.438 . . . . 10.0 112.046 -177.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.78 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -115.91 164.92 11.83 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 CA-C-N 115.484 -0.78 . . . . 10.0 109.358 -177.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.552 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.9 p -113.49 158.11 21.13 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.678 0.672 . . . . 10.0 112.36 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.608 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 37.9 p -47.81 -59.03 3.62 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 116.849 2.166 . . . . 10.0 116.849 -175.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -40.85 -18.89 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 115.507 1.669 . . . . 10.0 115.507 -177.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.483 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.2 m-70 -80.77 -21.02 41.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 113.34 0.867 . . . . 10.0 113.34 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.86 161.97 29.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.151 0.5 . . . . 10.0 110.23 179.702 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -73.43 145.44 85.17 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.945 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.5 -35.19 16.06 Favored 'Trans proline' 0 CA--C 1.517 -0.371 0 C-N-CA 123.709 2.939 . . . . 10.0 111.471 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.66 -44.19 85.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.82 -1.082 . . . . 10.0 110.673 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.637 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.56 0.35 56.59 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 115.423 -0.808 . . . . 10.0 112.074 -178.55 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.703 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.73 -54.51 0.9 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 115.021 1.489 . . . . 10.0 115.021 -177.167 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -175.35 -140.25 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.462 0.574 . . . . 10.0 111.979 -177.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.1 ptm180 -63.62 -9.84 15.68 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.575 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -85.44 6.69 25.67 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 18.6 t -71.16 -116.48 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.336 -179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -94.75 -74.95 0.53 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.076 -0.39 . . . . 10.0 111.614 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -90.65 -71.03 0.65 Allowed 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 112.003 0.371 . . . . 10.0 112.003 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HZ1' H5'' ' C' ' 30' ' ' ' DA' . 8.2 tppt? -145.55 -1.3 0.81 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.531 -0.468 . . . . 10.0 112.072 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -151.36 178.03 9.68 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.679 -0.408 . . . . 10.0 111.106 -179.753 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.669 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.48 162.35 5.0 Favored 'General case' 0 CA--C 1.517 -0.305 0 O-C-N 123.609 0.568 . . . . 10.0 111.463 -178.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' OG ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.78 120.99 18.15 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.146 -1.057 . . . . 10.0 108.146 178.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.568 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 9.7 pm0 -53.37 -19.32 3.3 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.128 -0.942 . . . . 10.0 112.761 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -101.98 13.37 34.96 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.349 0.499 . . . . 10.0 112.349 -179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.509 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -119.29 126.67 52.01 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.224 0.535 . . . . 10.0 111.621 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -132.52 137.89 30.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.639 -0.71 . . . . 10.0 110.056 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.644 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.5 Cg_endo -52.37 105.88 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 124.344 3.362 . . . . 10.0 113.838 -179.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.5 t -107.69 -14.91 14.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.487 0.661 . . . . 10.0 109.971 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -72.3 5.9 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 115.182 -0.917 . . . . 10.0 111.753 -179.016 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -42.43 -63.23 0.8 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.825 0.676 . . . . 10.0 112.825 -179.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -163.14 159.69 23.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.092 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.93 -56.94 15.54 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.566 -0.743 . . . . 10.0 110.573 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.39 -68.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.939 -0.573 . . . . 10.0 109.665 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.1 p -147.18 131.59 8.67 Favored Pre-proline 0 N--CA 1.449 -0.515 0 CA-C-N 115.833 -0.621 . . . . 10.0 109.899 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 19.0 Cg_exo -64.7 178.01 1.98 Allowed 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.842 2.362 . . . . 10.0 111.967 179.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.243 0.755 0 CA-C-O 117.962 -1.018 . . . . 10.0 109.666 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.745 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C4'-C3' 104.849 -0.751 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.777 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-N19 108.751 1.189 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.777 ' H71' H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 O4'-C1'-N19 108.892 1.365 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.751 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 104.541 -1.059 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.724 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.133 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.724 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-N19 108.724 1.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.956 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 O4'-C1'-N19 109.227 1.784 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.956 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-N19 109.078 1.598 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.433 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.416 -1.472 0 O4'-C1'-N19 108.97 1.463 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.433 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.277 0 O4'-C1'-N19 109.46 2.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.607 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O3'-P-O5' 101.101 -1.526 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.612 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 107.087 0.897 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.612 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.148 0.953 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.875 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.601 0 O4'-C1'-N19 108.659 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.155 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-N19 109.861 2.576 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.155 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.384 2 N19-C1'-C2' 103.544 -6.66 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.588 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.937 1.422 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.754 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-N19 108.708 1.135 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.855 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.117 0.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.855 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.516 1.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.471 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.082 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.742 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.164 0 O4'-C1'-N19 109.127 1.658 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.629 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 P-O5'-C5' 118.628 -1.42 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 O4'-C1'-N19 108.894 1.368 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 O4'-C1'-N19 108.957 1.446 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.452 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C1'-N19 108.796 1.245 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.778 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C4'-C3' 104.709 -0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.778 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 O4'-C1'-N19 108.684 1.105 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.605 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 107.135 0.941 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.586 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.033 0 O4'-C4'-C3' 104.593 -1.007 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.441 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 O4'-C1'-N19 108.77 1.212 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.437 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' HA ' ' HB2' ' A' ' 51' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.722 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.4 OUTLIER -71.16 -46.4 66.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -62.59 -30.45 71.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.371 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 p -173.49 153.26 2.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.265 -0.643 . . . . 10.0 109.265 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.618 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 2.2 m -75.79 169.97 17.11 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 110.124 -0.324 . . . . 10.0 110.124 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.469 ' HA ' ' CB ' ' A' ' 46' ' ' LYS . 24.3 m -72.67 5.69 2.96 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.17 -166.19 0.68 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.218 0.533 . . . . 10.0 111.969 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.464 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 2.1 t80 -104.91 78.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.037 -178.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.44 6.92 46.78 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.702 -0.761 . . . . 10.0 114.228 178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -77.6 73.46 4.17 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.337 0.569 . . . . 10.0 111.664 -179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -83.07 45.27 1.0 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.203 0.525 . . . . 10.0 109.976 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -87.7 48.82 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 10.0 111.385 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.11 134.14 0.84 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.743 1.277 . . . . 10.0 109.922 177.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.36 107.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.257 0.973 . . . . 10.0 112.399 -179.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.453 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -130.92 111.11 11.78 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 179.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -30.1 59.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.333 -0.848 . . . . 10.0 112.358 -178.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -64.08 -33.43 75.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.914 0.388 . . . . 10.0 110.503 -179.508 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.94 143.67 30.35 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.73 -0.668 . . . . 10.0 109.823 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -83.96 76.76 3.53 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.373 2.048 . . . . 10.0 113.912 -178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.463 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.5 m -146.9 149.34 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.993 0.425 . . . . 10.0 110.021 178.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.424 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 61.6 p -121.08 162.14 20.53 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.455 -0.942 . . . . 10.0 108.455 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.75 160.21 16.14 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.325 0.583 . . . . 10.0 110.221 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.617 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.14 174.68 15.02 Favored 'General case' 0 C--O 1.202 -1.438 0 CA-C-N 115.354 -0.839 . . . . 10.0 108.744 -179.203 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 30.3 mtpt -109.37 166.68 10.68 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 107.972 -1.122 . . . . 10.0 107.972 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.882 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -56.65 157.71 9.67 Favored Pre-proline 0 N--CA 1.475 0.803 0 CA-C-N 118.295 0.498 . . . . 10.0 111.303 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.581 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 62.5 Cg_endo -70.94 73.69 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.65 2.233 . . . . 10.0 110.37 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' A' ' 27' ' ' LEU . 19.2 mt -67.55 -24.19 65.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.575 0.702 . . . . 10.0 110.648 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.5 p -94.64 12.33 28.03 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 115.206 -0.906 . . . . 10.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -144.64 60.38 7.4 Favored Pre-proline 0 C--O 1.221 -0.415 0 N-CA-C 108.22 -1.03 . . . . 10.0 108.22 179.319 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.8 Cg_endo -47.78 -59.76 1.13 Allowed 'Trans proline' 0 C--O 1.219 -0.456 0 C-N-CA 123.91 3.073 . . . . 10.0 116.382 -176.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -49.91 -48.57 51.59 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 118.755 0.707 . . . . 10.0 109.554 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -64.81 -36.09 83.19 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.29 -0.868 . . . . 10.0 108.949 178.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.882 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.02 -37.16 78.91 Favored 'General case' 0 CA--C 1.51 -0.572 0 CA-C-O 122.493 1.14 . . . . 10.0 108.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.499 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.77 -32.56 73.23 Favored 'General case' 0 N--CA 1.427 -1.582 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.941 -177.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -72.77 -19.2 61.4 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 117.797 -1.561 . . . . 10.0 109.718 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.658 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.3 m0 -62.32 -30.96 71.53 Favored 'General case' 0 N--CA 1.443 -0.822 0 N-CA-C 107.516 -1.291 . . . . 10.0 107.516 178.01 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.44 -36.53 84.47 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.406 -0.961 . . . . 10.0 108.406 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.74 -24.6 67.62 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 114.995 -1.002 . . . . 10.0 110.618 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.81 -26.19 31.97 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.8 49.95 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-O 122.115 0.959 . . . . 10.0 109.095 179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.57 13.73 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.173 -1.376 . . . . 10.0 114.353 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -101.76 155.53 18.07 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.878 -0.514 . . . . 10.0 111.328 -179.402 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -60.24 -44.02 95.59 Favored 'General case' 0 CA--C 1.517 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 109.72 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -77.32 66.2 3.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.422 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.439 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 10.5 t80 -65.79 116.96 7.54 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 108.568 -0.901 . . . . 10.0 108.568 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.618 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -64.0 177.88 0.48 Allowed Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.217 -0.902 . . . . 10.0 111.896 -178.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.669 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 65.2 Cg_exo -51.28 162.01 1.49 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.004 1.803 . . . . 10.0 113.488 -178.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.446 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 19.3 p -78.75 -173.07 3.28 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 114.244 -1.344 . . . . 10.0 113.464 -175.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.61 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.13 -8.81 0.52 Allowed 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 113.937 -1.483 . . . . 10.0 113.923 -178.606 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.77 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 65.7 m-85 -80.95 -30.63 35.15 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 119.477 -0.889 . . . . 10.0 109.758 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.669 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.3 p -72.29 171.29 12.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 119.914 -0.714 . . . . 10.0 109.546 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -107.91 145.02 34.35 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-O 121.356 0.598 . . . . 10.0 112.331 -177.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.697 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -112.36 163.83 8.94 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-N 115.43 -0.804 . . . . 10.0 109.268 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.551 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.5 p -112.25 158.67 19.43 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 118.806 0.73 . . . . 10.0 112.149 -178.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.591 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 14.8 p -48.76 -57.82 5.75 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 116.449 2.018 . . . . 10.0 116.449 -175.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -39.6 -19.77 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.431 1.641 . . . . 10.0 115.431 -178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.456 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.1 m-70 -82.68 -18.08 42.22 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 113.463 0.912 . . . . 10.0 113.463 -177.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.617 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.03 162.74 30.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.14 0.495 . . . . 10.0 110.41 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -75.41 145.73 79.97 Favored Pre-proline 0 N--CA 1.437 -1.118 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.961 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.733 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.2 Cg_endo -46.08 -35.17 14.3 Favored 'Trans proline' 0 CA--C 1.516 -0.383 0 C-N-CA 123.574 2.849 . . . . 10.0 111.591 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.31 -45.15 84.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.961 -1.018 . . . . 10.0 110.48 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.669 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.76 0.23 57.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.071 -0.968 . . . . 10.0 112.166 -178.028 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.733 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -36.6 -56.33 0.82 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.426 1.639 . . . . 10.0 115.426 -177.075 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 11.4 ptpt -174.26 -139.47 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 118.856 0.753 . . . . 10.0 112.823 -177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.504 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -59.92 -13.46 11.08 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.651 0.611 . . . . 10.0 112.651 -179.309 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.83 4.97 34.79 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.842 179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.501 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 26.8 t -72.67 -116.81 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.711 -0.677 . . . . 10.0 112.104 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.77 -78.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.898 0.38 . . . . 10.0 111.679 -178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -98.99 -66.33 0.91 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.145 -0.48 . . . . 10.0 110.802 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 9.5 tppt? -146.36 1.49 0.83 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.708 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -149.94 176.31 10.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.739 -0.384 . . . . 10.0 111.363 179.7 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.8 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.05 164.12 3.19 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.458 0.646 . . . . 10.0 112.394 -178.248 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -77.51 122.26 25.0 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.368 -0.833 . . . . 10.0 108.76 178.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.603 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -50.41 -24.82 3.31 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.852 -1.067 . . . . 10.0 113.026 -179.519 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.73 3.88 54.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 112.0 0.37 . . . . 10.0 112.0 -179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.53 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -116.75 126.18 52.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.578 0.704 . . . . 10.0 111.923 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -134.24 138.96 31.58 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 114.92 -1.036 . . . . 10.0 109.276 179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.585 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -50.4 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 124.364 3.376 . . . . 10.0 113.679 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 8.3 t -101.85 -15.38 16.91 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.801 -0.636 . . . . 10.0 109.948 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.455 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.28 6.01 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 CA-C-N 115.469 -0.787 . . . . 10.0 111.189 -179.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.1 m-30 -45.59 -50.6 13.05 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 113.256 0.836 . . . . 10.0 113.256 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -165.95 164.72 18.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.689 0.28 . . . . 10.0 110.492 -178.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -75.8 -55.65 5.43 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.203 -0.453 . . . . 10.0 109.842 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.437 HD12 HG12 ' A' ' 85' ' ' VAL . 0.9 OUTLIER -161.21 -65.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.173 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.466 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.4 p -155.72 132.15 5.95 Favored Pre-proline 0 N--CA 1.453 -0.293 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.648 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.6 Cg_exo -69.72 179.3 3.77 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 123.256 2.637 . . . . 10.0 112.481 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.307 0 CA-C-O 118.721 -0.656 . . . . 10.0 110.158 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.731 H2'' ' C6 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.398 0 O4'-C1'-C2' 106.98 0.8 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.747 H2'' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-N19 108.845 1.306 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.902 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.902 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O5'-C5' 119.03 -1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.712 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.642 0 O4'-C4'-C3' 104.738 -0.862 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.712 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C4'-C3' 104.682 -0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.975 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.617 0 O4'-C1'-N19 109.164 1.705 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.975 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 O4'-C1'-C2' 107.316 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.47 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.362 0 O4'-C1'-N19 109.242 1.802 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.722 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.473 2.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O3'-P-O5' 101.041 -1.557 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C1'-C2' 106.918 0.744 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.456 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 104.515 -1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.907 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 106.983 0.803 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.206 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 109.511 2.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.206 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.443 2 N19-C1'-C2' 103.829 -6.482 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.585 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-N19 109.011 1.513 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.784 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 107.248 1.044 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.84 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.84 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.163 0.967 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.502 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 107.167 0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.77 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.186 0 O4'-C1'-N19 109.083 1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.646 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 P-O5'-C5' 118.578 -1.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-N19 108.957 1.447 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.463 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-N19 109.165 1.707 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.611 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O3'-P-O5' 102.145 -0.977 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.765 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.026 0.842 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.765 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.179 0.981 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.583 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C1'-C2' 107.137 0.943 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.525 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 108.603 1.004 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.522 H2'' ' C6 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C1'-C2' 107.166 0.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C1'-C2' 106.988 0.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 109.311 -0.626 . . . . 10.0 109.311 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.545 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -70.27 -48.68 59.61 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -178.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.52 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.6 mt-30 -55.16 -37.04 66.47 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 111.549 0.203 . . . . 10.0 111.549 -179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -175.47 158.76 2.32 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.89 -0.411 . . . . 10.0 109.89 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.7 m -78.12 -175.47 4.12 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.524 -0.307 . . . . 10.0 110.517 179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -80.74 3.41 22.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.815 0.341 . . . . 10.0 111.636 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.08 -177.51 6.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.242 0.544 . . . . 10.0 111.659 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -104.81 89.45 3.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.679 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.74 -1.94 34.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.627 -0.797 . . . . 10.0 113.752 178.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -82.23 73.5 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.073 0.436 . . . . 10.0 112.077 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -85.37 44.43 1.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.534 0.683 . . . . 10.0 109.322 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -85.96 50.26 1.94 Allowed 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.218 -0.901 . . . . 10.0 112.207 -178.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -34.0 134.23 0.18 Allowed 'General case' 0 C--N 1.319 -0.719 0 O-C-N 124.84 1.338 . . . . 10.0 109.621 176.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -33.29 108.48 0.06 Allowed 'General case' 0 N--CA 1.474 0.743 0 O-C-N 123.87 0.731 . . . . 10.0 111.277 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.457 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 7.4 t0 -126.33 112.09 15.27 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.844 -1.071 . . . . 10.0 108.453 -178.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.38 -26.98 63.81 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.089 -0.959 . . . . 10.0 112.609 -178.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 1.1 m-20 -73.92 -30.13 62.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.323 0.582 . . . . 10.0 110.557 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.548 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.51 138.6 26.74 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.604 -0.725 . . . . 10.0 109.709 -179.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -79.65 76.43 4.54 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.926 1.751 . . . . 10.0 114.192 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.548 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.4 m -145.89 148.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.368 -0.605 . . . . 10.0 109.368 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.48 161.11 22.84 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 108.19 -1.041 . . . . 10.0 108.19 178.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -108.38 163.63 13.03 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.349 -0.54 . . . . 10.0 110.78 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.703 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -157.8 175.58 13.69 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 108.457 -0.942 . . . . 10.0 108.457 -179.223 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.628 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 2.1 mtpt -110.42 166.87 10.64 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.098 -1.075 . . . . 10.0 108.098 177.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.812 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.6 m-85 -59.58 157.2 27.96 Favored Pre-proline 0 N--CA 1.468 0.456 0 CA-C-N 118.346 0.521 . . . . 10.0 110.549 178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.507 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -69.9 74.87 1.31 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.745 2.297 . . . . 10.0 110.375 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.1 mt -67.47 -23.68 65.53 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.483 0.659 . . . . 10.0 110.875 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.4 p -94.71 11.47 31.19 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.042 -0.981 . . . . 10.0 110.401 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.51 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.15 60.4 6.96 Favored Pre-proline 0 C--O 1.219 -0.53 0 CA-C-N 115.09 -0.959 . . . . 10.0 108.58 179.332 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.568 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -48.13 -58.43 1.75 Allowed 'Trans proline' 0 C--O 1.221 -0.331 0 C-N-CA 123.838 3.026 . . . . 10.0 116.101 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.7 OUTLIER -52.01 -46.46 64.95 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.77 0.714 . . . . 10.0 109.48 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.62 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.55 -35.13 79.96 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.696 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 45.2 t -61.4 -37.19 82.57 Favored 'General case' 0 CA--C 1.509 -0.628 0 CA-C-O 122.466 1.127 . . . . 10.0 108.831 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.41 -31.02 70.93 Favored 'General case' 0 N--CA 1.431 -1.377 0 CA-C-N 112.939 -1.937 . . . . 10.0 112.61 -177.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.51 -18.95 60.53 Favored 'General case' 0 CA--C 1.504 -0.809 0 C-N-CA 117.931 -1.508 . . . . 10.0 109.455 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.648 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.4 m0 -63.27 -30.75 71.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 107.613 -1.254 . . . . 10.0 107.613 178.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.03 -35.07 79.53 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 108.466 -0.938 . . . . 10.0 108.466 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.26 -24.8 68.03 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.815 -1.084 . . . . 10.0 111.064 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.22 -24.62 24.35 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.074 -0.512 . . . . 10.0 109.933 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -88.39 51.37 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-O 121.904 0.859 . . . . 10.0 109.428 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 9.33 0.11 Allowed 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 114.457 1.28 . . . . 10.0 114.457 -178.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 42' ' ' ARG . 9.3 tpt180 -91.58 152.69 20.17 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 121.64 -0.663 . . . . 10.0 111.527 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -57.98 -46.68 84.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.495 -0.775 . . . . 10.0 109.862 178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.87 64.25 6.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.596 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.3 t80 -59.35 121.59 11.82 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.284 -1.006 . . . . 10.0 108.284 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -67.42 -179.42 0.45 Allowed Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 10.0 112.025 -178.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.663 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.4 Cg_exo -50.74 164.18 0.61 Allowed 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.006 1.804 . . . . 10.0 114.273 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.482 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 21.6 p -79.17 -172.03 2.96 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 113.958 -1.474 . . . . 10.0 113.601 -175.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.696 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.52 -4.95 0.71 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.028 -1.442 . . . . 10.0 113.686 -178.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.759 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 58.2 m-85 -83.67 -30.36 26.87 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.323 -0.951 . . . . 10.0 109.505 178.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.663 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 4.7 p -72.85 172.52 10.7 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 120.366 -0.534 . . . . 10.0 109.942 179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.34 147.26 30.54 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.403 0.62 . . . . 10.0 112.295 -177.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.812 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -115.23 163.75 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.423 -0.808 . . . . 10.0 109.353 -177.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.575 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 17.6 p -112.83 159.69 18.76 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-N 119.016 0.826 . . . . 10.0 112.361 -178.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.606 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 20.4 p -49.13 -56.69 8.38 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 116.841 2.163 . . . . 10.0 116.841 -175.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.54 -17.16 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 115.232 1.567 . . . . 10.0 115.232 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.49 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 85.8 m-70 -84.67 -17.35 38.79 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 113.763 1.023 . . . . 10.0 113.763 -178.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.703 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.91 171.36 13.66 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 121.503 0.668 . . . . 10.0 110.558 179.115 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.463 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 0.9 OUTLIER -81.37 145.07 54.72 Favored Pre-proline 0 N--CA 1.434 -1.268 0 CA-C-N 114.932 -1.031 . . . . 10.0 109.654 178.404 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.752 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.6 Cg_endo -46.61 -35.23 16.57 Favored 'Trans proline' 0 CA--C 1.518 -0.278 0 C-N-CA 123.568 2.846 . . . . 10.0 111.717 178.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.463 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.2 OUTLIER -57.56 -43.97 84.88 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.714 -1.13 . . . . 10.0 110.438 179.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.648 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -93.62 0.55 56.59 Favored 'General case' 0 C--O 1.218 -0.565 0 CA-C-N 115.397 -0.82 . . . . 10.0 112.308 -178.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.752 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -37.42 -52.17 1.13 Allowed 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -177.333 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.55 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 8.3 ptpt -176.34 -144.59 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 118.753 0.706 . . . . 10.0 112.627 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.478 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 5.9 ptm180 -61.88 -14.97 38.78 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.875 -0.602 . . . . 10.0 112.074 -179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 20.9 mt-10 -83.56 7.62 16.65 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.039 -0.528 . . . . 10.0 109.751 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 11.7 t -69.42 -108.44 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.431 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -101.35 -72.79 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.804 0.298 . . . . 10.0 111.804 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -93.29 -71.74 0.64 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.709 0.29 . . . . 10.0 111.371 -179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.4 tppt? -146.04 0.71 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.581 -0.448 . . . . 10.0 111.784 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.693 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.95 -179.95 8.33 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.855 -0.338 . . . . 10.0 111.268 -179.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.693 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -61.2 168.01 2.81 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 123.756 0.66 . . . . 10.0 111.59 -179.159 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -81.74 122.51 27.76 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.309 -0.859 . . . . 10.0 109.181 179.132 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.62 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -54.08 -21.97 9.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.254 179.29 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.3 10.97 20.31 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.771 178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.11 127.51 41.61 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 112.869 0.692 . . . . 10.0 112.869 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.409 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -135.03 137.54 27.32 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 115.086 -0.961 . . . . 10.0 109.136 179.202 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.8 Cg_endo -49.21 99.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 124.544 3.496 . . . . 10.0 113.918 -178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 -15.41 17.27 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.574 0.702 . . . . 10.0 109.935 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.436 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -76.95 5.65 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-N 114.964 -1.017 . . . . 10.0 111.517 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.49 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.6 m-30 -45.5 -58.22 3.54 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.277 0.473 . . . . 10.0 112.277 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.98 164.27 23.2 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.743 -0.465 . . . . 10.0 109.743 -179.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -72.34 -75.73 0.13 Allowed 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.492 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.6 OUTLIER -137.23 -68.42 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.502 -0.317 . . . . 10.0 110.243 179.54 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 84' ' ' LEU . 2.7 p -154.73 131.89 6.16 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.256 -0.429 . . . . 10.0 110.228 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_exo -64.63 170.95 9.04 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.929 2.419 . . . . 10.0 112.345 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.948 0 CA-C-O 117.637 -1.173 . . . . 10.0 109.481 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.796 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.513 -0.466 0 O4'-C4'-C3' 104.904 -0.696 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.796 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.056 0.869 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.856 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.856 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.604 -0.996 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.741 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 O4'-C1'-N19 108.773 1.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.741 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C4'-C3' 104.507 -1.093 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.936 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 O4'-C1'-N19 108.819 1.273 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.936 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.408 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.364 0 O4'-C1'-N19 109.202 1.752 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.484 " H2'" ' CG1' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.176 0 O3'-P-O5' 100.955 -1.603 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.463 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.126 0 O3'-P-O5' 101.069 -1.543 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.463 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.565 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.041 0.855 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.882 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 107.125 0.931 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.148 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.888 0 O4'-C1'-N19 109.719 2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.148 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.637 2.487 2 N19-C1'-C2' 103.489 -6.694 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.579 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-N19 108.872 1.34 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.777 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-N19 108.752 1.19 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.859 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.859 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 107.217 1.015 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.45 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.759 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.092 0 O4'-C1'-N19 109.34 1.925 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.663 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-N19 109.062 1.577 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C1'-N19 108.935 1.419 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.332 -1.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.555 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-N19 108.822 1.277 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.601 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C4'-C3' 104.701 -0.899 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 P-O5'-C5' 119.35 -0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.203 1.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.486 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.52 -1.08 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.499 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C4'-C3' 104.639 -0.961 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.499 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.997 0.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.585 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 1.4 ptp . . . . . 0 N--CA 1.482 1.154 0 N-CA-C 109.778 -0.453 . . . . 10.0 109.778 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.87 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.7 OUTLIER -72.52 -48.11 48.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 112.232 0.456 . . . . 10.0 112.232 -179.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 18.3 mt-30 -52.74 -33.53 48.62 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.922 0.391 . . . . 10.0 110.48 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.4 154.41 1.67 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.726 -0.842 . . . . 10.0 108.726 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 3.4 m -76.61 172.13 13.53 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.431 -179.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 m -72.7 4.56 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.236 0.458 . . . . 10.0 112.236 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.62 -169.99 2.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.093 0.473 . . . . 10.0 111.21 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -104.91 84.85 2.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.92 0.39 . . . . 10.0 111.519 -178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.22 10.12 40.04 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.599 -0.81 . . . . 10.0 114.12 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.5 t -83.99 73.69 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 117.412 0.606 . . . . 10.0 112.154 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.8 mtpt -83.28 45.34 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.609 0.719 . . . . 10.0 109.527 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -91.17 49.26 1.6 Allowed 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 115.454 -0.794 . . . . 10.0 111.674 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.525 HH22 " H3'" ' B' ' 10' ' ' ' DG' . 0.2 OUTLIER -35.29 138.86 0.12 Allowed 'General case' 0 N--CA 1.474 0.733 0 O-C-N 124.804 1.315 . . . . 10.0 110.038 177.484 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.92 108.13 0.08 Allowed 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.419 0.628 . . . . 10.0 111.902 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.43 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -131.6 111.59 11.86 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 107.084 -1.45 . . . . 10.0 107.084 178.813 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.2 -24.53 55.15 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.882 -1.054 . . . . 10.0 112.714 -177.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.2 OUTLIER -67.93 -33.3 74.43 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.354 0.597 . . . . 10.0 110.421 179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.542 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -89.01 141.15 29.27 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 10.0 109.668 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -81.12 76.71 4.34 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.123 1.882 . . . . 10.0 113.757 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.1 m -147.5 148.85 16.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.039 0.447 . . . . 10.0 109.818 177.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.1 p -122.26 160.44 25.27 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.138 -1.06 . . . . 10.0 108.138 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -108.08 160.56 15.71 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.548 0.69 . . . . 10.0 110.347 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.606 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.0 174.68 14.82 Favored 'General case' 0 C--O 1.206 -1.216 0 CA-C-N 115.093 -0.958 . . . . 10.0 108.496 -178.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.507 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 27.0 mtpt -108.35 167.35 10.09 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.851 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.22 18.8 Favored Pre-proline 0 N--CA 1.47 0.562 0 CA-C-N 118.219 0.463 . . . . 10.0 110.597 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.545 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.75 74.83 1.25 Allowed 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.599 2.2 . . . . 10.0 110.354 177.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' A' ' 27' ' ' LEU . 20.5 mt -67.78 -22.69 65.19 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.35 0.595 . . . . 10.0 110.869 -177.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.8 p -95.68 11.95 31.54 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 115.213 -0.903 . . . . 10.0 110.451 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.19 61.85 7.54 Favored Pre-proline 0 C--O 1.222 -0.363 0 N-CA-C 108.262 -1.014 . . . . 10.0 108.262 178.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.2 Cg_endo -48.84 -59.03 1.4 Allowed 'Trans proline' 0 C--O 1.218 -0.511 0 C-N-CA 124.058 3.172 . . . . 10.0 116.525 -176.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.453 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 12.7 m -51.31 -46.08 62.43 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 118.783 0.719 . . . . 10.0 109.546 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -66.51 -35.56 80.56 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.579 -0.897 . . . . 10.0 108.579 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.7 t -60.42 -36.94 79.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 122.707 1.242 . . . . 10.0 108.891 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -67.63 -31.54 71.62 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 113.03 -1.895 . . . . 10.0 112.807 -176.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -73.59 -19.25 60.93 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 117.927 -1.509 . . . . 10.0 109.721 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.8 m0 -62.58 -31.14 71.9 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 107.605 -1.257 . . . . 10.0 107.605 178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 37' ' ' GLU . 1.2 mm-40 -65.33 -34.85 79.3 Favored 'General case' 0 N--CA 1.446 -0.628 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.63 -22.38 66.96 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.934 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.6 -26.3 24.5 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.224 -0.658 . . . . 10.0 109.224 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.9 t -88.66 50.59 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.557 -0.905 . . . . 10.0 108.557 179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.69 13.69 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 151.45 20.44 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 121.655 -0.653 . . . . 10.0 111.141 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.584 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -63.15 -34.78 78.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.278 0.561 . . . . 10.0 109.753 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.584 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 1.9 p-10 -87.81 65.22 8.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 115.105 -0.952 . . . . 10.0 109.557 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.518 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 26.5 t80 -63.8 122.3 16.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.375 -1.284 . . . . 10.0 108.911 179.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.52 ' HG3' ' P ' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER -67.24 178.0 0.8 Allowed Pre-proline 0 C--O 1.218 -0.559 0 O-C-N 123.848 0.718 . . . . 10.0 111.054 -179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.631 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 61.9 Cg_exo -49.92 160.56 1.23 Allowed 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 122.191 1.927 . . . . 10.0 113.747 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.458 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.7 p -78.84 -170.86 2.32 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.58 -1.191 . . . . 10.0 113.48 -175.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.674 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.75 -10.42 1.03 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.116 -1.402 . . . . 10.0 113.656 -178.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.764 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 64.7 m-85 -79.2 -30.83 43.56 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 119.386 -0.925 . . . . 10.0 109.486 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.631 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 10.3 p -73.06 171.82 12.18 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 120.146 -0.621 . . . . 10.0 109.765 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.451 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -107.65 148.08 29.82 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 121.321 0.581 . . . . 10.0 112.416 -177.072 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.795 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.9 mp -116.08 163.63 13.14 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.157 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.557 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 19.2 p -114.74 159.5 20.49 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 118.929 0.786 . . . . 10.0 112.815 -177.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.589 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 13.9 p -47.36 -56.51 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 116.537 2.051 . . . . 10.0 116.537 -175.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -42.59 -18.39 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.486 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.3 m-70 -83.95 -17.66 39.89 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 113.635 0.976 . . . . 10.0 113.635 -177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.606 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.88 170.7 14.07 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-O 121.321 0.581 . . . . 10.0 110.489 179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.81 144.78 56.36 Favored Pre-proline 0 C--N 1.311 -1.079 0 CA-C-N 114.979 -1.009 . . . . 10.0 109.596 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.745 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -47.32 -35.62 21.13 Favored 'Trans proline' 0 C--N 1.332 -0.319 0 C-N-CA 123.426 2.751 . . . . 10.0 111.533 178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.94 -43.72 86.53 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.85 -1.068 . . . . 10.0 110.398 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.645 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.94 0.34 57.38 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 115.207 -0.906 . . . . 10.0 112.382 -178.397 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.745 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -37.42 -55.39 1.06 Allowed 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.121 1.526 . . . . 10.0 115.121 -177.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.571 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 13.7 ptpt -174.88 -138.91 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.583 0.586 . . . . 10.0 112.583 -177.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.514 HH21 " H5'" ' C' ' 29' ' ' ' DA' . 1.7 ptm180 -61.46 -11.11 9.29 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.953 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -85.25 6.89 24.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.117 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 24.2 t -71.39 -116.14 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.977 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -99.45 -76.01 0.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -85.06 -71.93 0.5 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.944 -0.302 . . . . 10.0 110.996 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' O ' ' HA ' ' A' ' 65' ' ' ARG . 11.3 tppt? -147.2 -7.66 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.668 -0.413 . . . . 10.0 111.525 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.618 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -142.37 -178.8 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.634 -0.136 . . . . 10.0 110.634 179.489 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.28 164.93 2.93 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.456 0.646 . . . . 10.0 112.384 -178.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -78.21 122.17 25.32 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.113 -0.949 . . . . 10.0 108.873 178.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.626 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 3.1 pm0 -55.64 -19.79 11.73 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.482 -0.781 . . . . 10.0 112.061 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.89 7.12 41.61 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.949 -0.569 . . . . 10.0 111.185 179.178 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.496 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -123.66 126.56 46.79 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.525 0.679 . . . . 10.0 112.49 -179.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -134.9 135.62 23.54 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 114.905 -1.043 . . . . 10.0 108.881 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.647 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.4 Cg_endo -48.16 100.85 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 124.556 3.504 . . . . 10.0 113.989 -178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.0 t -104.27 -14.62 15.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 10.0 109.797 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.443 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -73.63 5.94 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.342 -0.845 . . . . 10.0 111.454 -179.17 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.647 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 6.5 m-30 -45.12 -61.63 1.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 112.656 0.613 . . . . 10.0 112.656 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -168.1 164.37 13.5 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.565 -0.532 . . . . 10.0 109.565 -179.044 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -73.61 -66.68 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 123.357 0.41 . . . . 10.0 110.583 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.34 -70.9 0.4 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 10.0 110.404 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.3 p -155.68 134.62 7.6 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.365 -179.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 24.4 Cg_exo -61.04 159.02 31.51 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.838 2.359 . . . . 10.0 111.664 178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.43 ' H ' ' HG3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.245 0.862 0 CA-C-O 118.32 -0.848 . . . . 10.0 110.021 -179.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.826 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.433 -0.45 0 O4'-C1'-C2' 106.949 0.772 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.826 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.514 0.892 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.849 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.849 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-N19 108.651 1.063 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.768 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C1'-N19 108.655 1.069 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.768 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.695 1.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.98 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 109.198 1.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.98 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.016 1.52 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.426 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.248 0 O4'-C1'-N19 109.002 1.503 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.87 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.421 -1.202 0 O4'-C1'-N19 109.587 2.234 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.401 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O3'-P-O5' 100.873 -1.646 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.594 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.024 0 C2'-C3'-O3' 113.662 1.134 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.594 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 107.172 0.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.927 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.141 0.946 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.149 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.872 0 O4'-C1'-N19 109.339 1.924 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.149 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.495 -2.251 2 N19-C1'-C2' 104.128 -6.295 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.665 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-N19 109.034 1.542 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.772 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-N19 108.882 1.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.849 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.132 0.939 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.849 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.215 1.013 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.458 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 107.219 1.018 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.764 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.13 0 O4'-C1'-N19 109.346 1.932 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.641 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 108.942 1.427 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-N19 109.023 1.528 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C4'-C3' 104.51 -1.09 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.092 1.614 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.561 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C4'-C3' 104.525 -1.075 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.561 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.673 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.526 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 107.207 1.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.511 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 107.085 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.194 0.994 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.484 ' C6 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' SD ' ' HB2' ' A' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.689 HG21 H2'' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -70.14 -49.17 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 112.646 0.61 . . . . 10.0 112.646 -178.369 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.517 ' HB2' ' SD ' ' A' ' 1' ' ' MET . 24.3 mt-30 -53.29 -37.23 62.03 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.775 0.322 . . . . 10.0 110.583 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.13 155.99 1.62 Allowed 'General case' 0 C--O 1.239 0.528 0 N-CA-C 108.893 -0.78 . . . . 10.0 108.893 178.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.435 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.8 m -77.88 174.71 10.74 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -73.18 4.5 4.4 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.464 0.542 . . . . 10.0 112.464 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.52 -175.25 4.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.059 0.457 . . . . 10.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -104.84 86.39 2.46 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.185 0.516 . . . . 10.0 110.743 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.05 13.62 28.63 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.772 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.7 t -88.91 73.08 8.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.537 0.669 . . . . 10.0 112.021 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -85.06 52.36 2.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.854 0.835 . . . . 10.0 109.123 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -96.89 49.43 1.08 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.835 -1.075 . . . . 10.0 111.179 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -36.16 141.0 0.11 Allowed 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 113.788 -1.551 . . . . 10.0 110.658 178.203 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -42.28 109.86 0.15 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.094 0.473 . . . . 10.0 111.736 179.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.466 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 60.5 t0 -132.3 112.73 12.47 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 107.056 -1.461 . . . . 10.0 107.056 178.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -57.29 -24.69 56.55 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.688 -0.687 . . . . 10.0 112.092 -178.352 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.464 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -72.6 -30.58 64.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.99 0.424 . . . . 10.0 110.447 179.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.466 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -90.17 140.37 27.3 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.589 -0.732 . . . . 10.0 109.168 179.367 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -83.56 77.73 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 121.992 1.795 . . . . 10.0 114.717 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.8 m -147.76 145.73 18.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.995 0.426 . . . . 10.0 110.001 177.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.0 p -118.04 159.24 23.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.4 -0.963 . . . . 10.0 108.4 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.79 162.5 14.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 121.548 0.69 . . . . 10.0 110.646 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.631 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.68 173.32 16.9 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 115.037 -0.983 . . . . 10.0 108.607 -179.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.582 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 10.3 mtpt -107.75 167.26 10.09 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 107.907 -1.146 . . . . 10.0 107.907 176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.853 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.7 m-85 -58.93 157.22 21.36 Favored Pre-proline 0 N--CA 1.473 0.682 0 CA-C-N 118.459 0.572 . . . . 10.0 111.045 179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.5 Cg_endo -70.05 75.08 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.66 2.24 . . . . 10.0 110.358 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 23.2 mt -67.91 -22.06 65.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.465 0.65 . . . . 10.0 110.942 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.7 p -94.4 9.64 37.5 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.692 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.56 60.34 6.62 Favored Pre-proline 0 C--O 1.224 -0.273 0 N-CA-C 108.397 -0.964 . . . . 10.0 108.397 178.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.522 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.9 Cg_endo -47.85 -56.29 3.23 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.098 3.198 . . . . 10.0 115.922 -176.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.507 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.26 -50.01 51.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.382 0.61 . . . . 10.0 109.747 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.77 -33.64 76.33 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.022 -0.99 . . . . 10.0 109.005 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.853 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 38.9 t -61.8 -36.18 80.37 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 122.457 1.123 . . . . 10.0 108.74 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -67.9 -30.69 70.1 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 113.044 -1.889 . . . . 10.0 112.9 -177.258 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' HG2' ' H ' ' A' ' 35' ' ' GLU . 1.1 pt-20 -73.44 -19.57 60.93 Favored 'General case' 0 CA--C 1.504 -0.802 0 C-N-CA 117.527 -1.669 . . . . 10.0 109.375 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.0 m0 -61.99 -32.48 72.94 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 107.417 -1.327 . . . . 10.0 107.417 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -63.37 -36.4 83.59 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.604 -0.888 . . . . 10.0 108.604 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.2 -27.28 68.95 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.935 -1.03 . . . . 10.0 110.411 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -82.32 -26.72 32.77 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 109.285 -0.635 . . . . 10.0 109.285 179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.6 t -89.22 50.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 108.527 -0.916 . . . . 10.0 108.527 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.78 13.7 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.746 -1.115 . . . . 10.0 113.748 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' HA ' ' HD2' ' A' ' 42' ' ' ARG . 12.9 tpt180 -88.11 148.11 24.61 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 121.981 -0.449 . . . . 10.0 110.934 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -57.98 -50.81 72.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.835 -0.62 . . . . 10.0 110.711 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -84.21 65.5 8.84 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.297 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 12.3 t80 -51.1 126.39 16.34 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 114.974 -1.012 . . . . 10.0 109.604 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.504 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -69.98 -178.97 0.54 Allowed Pre-proline 0 C--O 1.219 -0.54 0 CA-C-N 115.49 -0.777 . . . . 10.0 111.287 -178.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.653 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 53.2 Cg_exo -50.17 160.18 1.55 Allowed 'Trans proline' 0 C--N 1.353 0.813 0 C-N-CA 122.215 1.943 . . . . 10.0 114.029 -178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.462 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 18.4 p -79.14 -172.48 3.15 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-N 114.491 -1.231 . . . . 10.0 113.535 -175.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.687 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -58.06 -6.72 0.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.628 -178.698 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.769 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 66.2 m-85 -81.23 -31.51 33.8 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 119.099 -1.04 . . . . 10.0 109.343 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.653 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.1 p -72.24 171.67 11.67 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.199 -0.601 . . . . 10.0 109.623 179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.417 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -107.94 147.52 30.92 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 121.33 0.586 . . . . 10.0 112.483 -176.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.723 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -113.87 164.15 10.29 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.022 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.534 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 21.7 p -116.34 158.45 23.43 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 118.895 0.77 . . . . 10.0 112.929 -177.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.625 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 22.1 p -44.07 -59.26 2.4 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.388 1.996 . . . . 10.0 116.388 -175.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -41.62 -17.52 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 115.288 1.588 . . . . 10.0 115.288 -178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.485 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 91.0 m-70 -84.56 -17.66 38.14 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.755 1.02 . . . . 10.0 113.755 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.631 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.6 168.84 17.54 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.328 0.585 . . . . 10.0 110.353 179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.47 144.21 69.72 Favored Pre-proline 0 N--CA 1.436 -1.152 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.428 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.3 Cg_endo -46.11 -35.8 15.43 Favored 'Trans proline' 0 CA--C 1.52 -0.196 0 C-N-CA 123.57 2.847 . . . . 10.0 111.444 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.37 -42.27 86.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.716 -1.129 . . . . 10.0 110.826 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.604 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -94.46 -0.06 55.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.388 -178.556 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.724 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -34.46 -55.62 0.53 Allowed 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 115.398 1.629 . . . . 10.0 115.398 -177.197 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.549 ' NZ ' H5'' ' B' ' 8' ' ' ' DT' . 2.1 ptpt -175.74 -140.41 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 118.432 0.56 . . . . 10.0 112.094 -177.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.578 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 1.0 OUTLIER -62.12 -13.4 26.58 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.795 0.438 . . . . 10.0 111.991 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -85.2 6.72 24.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.075 0.464 . . . . 10.0 109.991 179.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 7.1 t -69.03 -102.97 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.886 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -101.01 -70.83 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 122.15 -0.343 . . . . 10.0 111.491 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -102.41 -67.74 0.86 Allowed 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.856 -0.338 . . . . 10.0 111.349 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -144.67 1.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.413 0.523 . . . . 10.0 112.413 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.758 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -153.07 176.32 12.02 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.644 -0.422 . . . . 10.0 111.078 178.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.758 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.86 171.08 0.99 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.922 -0.581 . . . . 10.0 111.935 -178.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.445 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -82.77 122.17 27.84 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.526 -0.761 . . . . 10.0 109.517 179.35 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.582 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.42 -22.8 1.26 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.965 -1.016 . . . . 10.0 112.863 179.733 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.8 8.89 43.3 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.405 0.52 . . . . 10.0 112.405 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' HG2' ' A' ' 73' ' ' LYS . . . -120.0 127.57 52.74 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.409 0.623 . . . . 10.0 112.575 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -134.4 137.59 28.22 Favored Pre-proline 0 CA--C 1.537 0.454 0 CA-C-N 115.102 -0.953 . . . . 10.0 109.32 179.16 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.0 Cg_endo -50.5 103.83 0.07 OUTLIER 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.36 3.373 . . . . 10.0 113.733 -178.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -105.84 -14.68 15.15 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.764 -0.653 . . . . 10.0 110.071 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.431 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.5 OUTLIER -74.48 5.72 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-N 115.356 -0.838 . . . . 10.0 111.485 -179.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.485 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 4.5 m-30 -44.23 -57.06 3.67 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -169.69 170.86 7.76 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -74.97 -58.95 2.97 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -156.21 -64.69 0.11 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.874 179.448 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.471 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 1.9 p -150.73 129.83 6.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.221 -0.445 . . . . 10.0 110.889 -179.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 6.1 Cg_exo -72.3 159.84 48.53 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.941 2.428 . . . . 10.0 111.207 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.411 -0.804 . . . . 10.0 110.354 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.768 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.523 -0.453 0 O4'-C1'-C2' 106.855 0.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.768 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.66 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.866 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-N19 108.981 1.476 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.866 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O3'-P-O5' 102.146 -0.976 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.704 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.961 0.783 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.706 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.097 0 O4'-C1'-C2' 107.228 1.025 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.95 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.698 0 O4'-C1'-N19 109.139 1.674 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.95 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 O4'-C1'-N19 108.7 1.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.41 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.137 0 O4'-C1'-N19 109.128 1.66 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.689 H2'' HG21 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.226 0 O4'-C1'-N19 109.413 2.017 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.596 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O3'-P-O5' 100.821 -1.673 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.596 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 107.092 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.619 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.108 0.916 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.947 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.124 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-N19 109.663 2.328 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.124 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.373 2 N19-C1'-C2' 104.018 -6.364 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.64 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.089 0 O4'-C1'-N19 109.159 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.763 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.834 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 107.1 0.909 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.834 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.384 1.168 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.477 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 107.129 0.936 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.769 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.188 0 O4'-C1'-N19 109.272 1.84 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.651 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 P-O5'-C5' 118.31 -1.619 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.502 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C1'-N19 108.965 1.456 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.563 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 P-O5'-C5' 118.978 -1.201 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.745 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 106.998 0.817 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.745 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C4'-C3' 104.747 -0.853 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.636 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C4'-C3' 104.521 -1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.543 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C1'-C2' 107.104 0.913 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.543 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 107.049 0.863 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.542 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ttt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 109.041 -0.725 . . . . 10.0 109.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.5 m -98.06 13.12 4.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.467 0.543 . . . . 10.0 112.467 -178.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -97.59 -59.7 1.72 Allowed 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 119.465 -0.894 . . . . 10.0 111.11 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -177.9 156.33 1.07 Allowed 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 110.02 -0.363 . . . . 10.0 110.02 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -77.26 170.13 17.09 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.829 -0.434 . . . . 10.0 109.829 178.418 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 5.19 1.93 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.059 0.763 . . . . 10.0 113.059 -178.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.03 -171.92 2.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.109 0.481 . . . . 10.0 111.619 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.07 88.11 2.93 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.907 -0.588 . . . . 10.0 111.015 -178.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.5 1.27 56.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.598 -0.811 . . . . 10.0 113.968 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -78.52 72.99 5.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.094 0.447 . . . . 10.0 111.588 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -83.98 42.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.876 -0.787 . . . . 10.0 108.876 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -82.21 50.03 1.52 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 114.787 -1.097 . . . . 10.0 112.218 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.55 129.81 0.28 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.407 -1.269 . . . . 10.0 110.246 177.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -31.24 108.42 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.996 0.81 . . . . 10.0 111.832 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.445 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 20.5 t0 -126.5 112.58 15.73 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 108.505 -0.924 . . . . 10.0 108.505 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -28.0 66.39 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.276 -0.874 . . . . 10.0 111.805 -179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.25 -32.52 72.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.118 0.485 . . . . 10.0 110.369 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -89.14 145.43 34.28 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.36 -0.837 . . . . 10.0 109.4 179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -85.77 76.81 2.77 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 121.44 1.427 . . . . 10.0 113.676 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.444 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.7 m -144.11 146.44 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 177.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.32 159.74 23.57 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.66 -0.867 . . . . 10.0 108.66 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -108.47 163.39 13.26 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.182 -0.607 . . . . 10.0 110.327 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.695 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -158.54 175.86 13.14 Favored 'General case' 0 C--O 1.204 -1.307 0 CA-C-N 115.264 -0.88 . . . . 10.0 108.747 -179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.573 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 18.5 mtpt -108.86 166.6 10.69 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.855 -1.165 . . . . 10.0 107.855 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.887 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.5 m-85 -59.9 156.75 34.1 Favored Pre-proline 0 N--CA 1.471 0.618 0 CA-C-N 118.227 0.467 . . . . 10.0 109.96 178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.495 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 56.4 Cg_endo -69.34 74.83 1.07 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.475 2.117 . . . . 10.0 110.234 177.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 27' ' ' LEU . 30.9 mt -67.42 -22.18 65.53 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.567 0.699 . . . . 10.0 110.992 -178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.7 p -95.33 10.21 37.06 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.915 -1.039 . . . . 10.0 110.418 179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -145.72 60.16 6.35 Favored Pre-proline 0 C--O 1.223 -0.321 0 N-CA-C 108.362 -0.977 . . . . 10.0 108.362 179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.558 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.6 Cg_endo -47.15 -57.6 2.22 Favored 'Trans proline' 0 C--O 1.22 -0.392 0 C-N-CA 124.026 3.15 . . . . 10.0 116.202 -176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.8 OUTLIER -50.35 -48.14 55.66 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.312 0.577 . . . . 10.0 109.502 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.638 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -65.91 -35.22 80.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.331 -0.849 . . . . 10.0 108.925 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.851 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 42.0 t -60.71 -36.74 79.56 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 122.701 1.238 . . . . 10.0 108.803 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.2 OUTLIER -68.02 -31.43 71.1 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-N 112.95 -1.932 . . . . 10.0 112.961 -177.049 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -74.17 -18.06 60.83 Favored 'General case' 0 CA--C 1.505 -0.758 0 C-N-CA 117.668 -1.613 . . . . 10.0 109.472 -179.324 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.594 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.5 m0 -63.72 -29.74 70.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.617 -1.253 . . . . 10.0 107.617 178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -64.24 -34.8 78.94 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 108.479 -0.934 . . . . 10.0 108.479 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.21 -24.76 67.79 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 114.903 -1.044 . . . . 10.0 110.515 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -84.01 -25.59 29.83 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.912 -0.585 . . . . 10.0 109.655 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.07 47.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.941 0.877 . . . . 10.0 108.976 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.74 14.87 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 114.011 -1.449 . . . . 10.0 114.394 -178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.446 ' HB3' ' OD1' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -106.71 157.04 18.01 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 121.552 -0.717 . . . . 10.0 111.732 -179.055 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -61.51 -35.67 78.35 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.57 -179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.476 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 3.6 p30 -85.42 63.71 8.23 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.855 -179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.43 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 15.4 t80 -64.24 120.41 12.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.295 -0.866 . . . . 10.0 108.748 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -69.96 179.81 0.74 Allowed Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.415 -0.812 . . . . 10.0 111.761 -178.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.685 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 52.0 Cg_exo -51.04 161.43 1.51 Allowed 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 121.912 1.741 . . . . 10.0 113.137 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.509 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 27.5 p -79.13 -171.63 2.75 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.435 -1.257 . . . . 10.0 113.786 -175.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.758 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.61 -8.69 0.41 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.115 -1.402 . . . . 10.0 114.242 -178.708 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.761 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 68.5 m-85 -83.31 -28.85 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 119.194 -1.002 . . . . 10.0 110.346 178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.685 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 5.5 p -72.89 173.33 9.35 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.76 144.33 36.72 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-O 121.23 0.538 . . . . 10.0 112.388 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.887 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -112.53 163.49 9.52 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.532 0 CA-C-N 115.353 -0.839 . . . . 10.0 109.404 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.566 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 24.2 p -113.28 158.51 20.44 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.708 0.685 . . . . 10.0 112.504 -178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.619 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 24.0 p -48.3 -57.67 5.66 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 116.612 2.079 . . . . 10.0 116.612 -175.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -40.77 -17.22 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 115.316 1.598 . . . . 10.0 115.316 -178.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.508 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 84.6 m-70 -85.79 -16.5 38.6 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.796 1.036 . . . . 10.0 113.796 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.695 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -132.24 170.62 14.77 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 121.501 0.667 . . . . 10.0 110.943 179.608 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.75 146.63 56.83 Favored Pre-proline 0 N--CA 1.439 -1.014 0 CA-C-N 114.787 -1.097 . . . . 10.0 109.583 178.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.784 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.4 Cg_endo -47.02 -35.33 18.54 Favored 'Trans proline' 0 CA--C 1.514 -0.476 0 C-N-CA 123.86 3.04 . . . . 10.0 111.845 178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.84 -43.58 90.77 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.978 -1.01 . . . . 10.0 110.296 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.67 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -92.82 1.19 57.42 Favored 'General case' 0 C--O 1.217 -0.647 0 CA-C-N 114.891 -1.05 . . . . 10.0 112.165 -178.155 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.784 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -40.09 -53.1 2.48 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.419 1.637 . . . . 10.0 115.419 -177.182 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' A' ' 65' ' ' ARG . 7.1 ptpt -175.48 -145.83 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 118.828 0.74 . . . . 10.0 112.881 -177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 0.0 OUTLIER -60.36 -14.46 18.77 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.089 0.555 . . . . 10.0 112.201 -179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -82.41 4.54 23.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.077 -0.51 . . . . 10.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 47.9 t -71.68 -116.82 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.694 -0.685 . . . . 10.0 112.232 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -91.05 -76.3 0.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.596 0.591 . . . . 10.0 112.596 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -88.54 -72.0 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.619 -0.432 . . . . 10.0 111.686 -178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 70' ' ' LYS . 2.3 tppt? -146.02 1.53 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 10.0 110.643 -179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.65 HD13 HD12 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -152.98 -179.2 7.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.33 -0.395 . . . . 10.0 110.494 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -60.72 168.58 2.2 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 124.069 0.856 . . . . 10.0 112.141 -179.076 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.7 122.13 24.26 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.828 -1.078 . . . . 10.0 109.08 178.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.638 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 2.4 pm0 -55.11 -19.22 6.94 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.32 -0.855 . . . . 10.0 111.539 179.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.83 15.99 23.73 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.768 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -129.93 127.14 39.5 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.572 0.701 . . . . 10.0 112.035 179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.43 138.07 30.49 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.036 -0.984 . . . . 10.0 109.678 179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.615 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.14 100.59 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 124.546 3.497 . . . . 10.0 113.922 -178.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -102.46 -15.4 16.49 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.768 -0.651 . . . . 10.0 110.26 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.3 OUTLIER -74.61 5.84 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 115.339 -0.846 . . . . 10.0 111.642 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.615 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.9 m-30 -44.34 -54.33 5.92 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -170.57 159.89 6.99 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.53 -0.544 . . . . 10.0 109.53 -179.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -67.55 -66.48 0.56 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.576 0.547 . . . . 10.0 110.063 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.11 -69.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.592 -0.277 . . . . 10.0 110.679 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 2.9 p -156.38 134.29 7.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.473 -0.331 . . . . 10.0 110.619 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 22.1 Cg_exo -64.04 158.08 49.67 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 123.084 2.522 . . . . 10.0 112.334 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.201 0 CA-C-O 118.413 -0.803 . . . . 10.0 110.646 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.804 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.878 0.708 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.804 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 107.083 0.893 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.915 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-N19 108.905 1.381 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.915 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.688 1.11 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.714 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 107.023 0.839 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.727 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.575 0.968 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.954 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.991 1.489 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.954 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 108.918 1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.478 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.405 0 O4'-C1'-N19 109.524 2.156 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.478 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O3'-P-O5' 100.519 -1.832 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.604 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O3'-P-O5' 101.525 -1.302 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.604 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 C2'-C3'-O3' 113.102 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.603 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.949 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.592 0.99 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.15 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 0.99 0 O4'-C1'-N19 109.874 2.593 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.15 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.638 2.573 2 N19-C1'-C2' 103.726 -6.546 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.667 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 109.119 1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.82 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-N19 108.775 1.219 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.847 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 107.068 0.88 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.847 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 O4'-C1'-C2' 107.358 1.144 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.509 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C1'-C2' 107.114 0.921 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.761 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.24 0 O4'-C1'-N19 109.207 1.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.673 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 P-O5'-C5' 118.203 -1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.409 ' OP2' H2'' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 109.105 1.632 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.437 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-N19 108.836 1.295 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.472 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 O3'-P-O5' 101.474 -1.329 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.67 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.96 0.781 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.67 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.761 1.202 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.629 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-N19 108.689 1.112 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.581 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.287 1.079 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.581 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-N19 108.696 1.12 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.5 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.468 -0.732 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 16.7 ptm . . . . . 0 N--CA 1.486 1.326 0 N-CA-C 109.835 -0.432 . . . . 10.0 109.835 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.822 HG11 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -71.39 -46.99 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.761 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 6.7 mt-30 -50.82 -35.48 32.49 Favored 'General case' 0 N--CA 1.463 0.22 0 O-C-N 123.577 0.548 . . . . 10.0 110.391 179.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.492 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.2 p -175.39 155.05 1.78 Allowed 'General case' 0 C--O 1.236 0.379 0 N-CA-C 108.99 -0.744 . . . . 10.0 108.99 179.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -75.74 173.28 11.31 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.9 3.53 8.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.73 -179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.45 -173.52 3.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.798 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -104.7 86.21 2.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.71 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.87 1.97 36.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 10.0 114.104 178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 t -83.06 73.06 10.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 117.372 0.586 . . . . 10.0 111.802 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 10.3 tttt -86.82 40.06 0.88 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.788 0.804 . . . . 10.0 109.297 178.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -78.87 48.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.438 -1.255 . . . . 10.0 111.284 -179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -36.84 132.62 0.65 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.395 1.059 . . . . 10.0 109.475 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -27.27 106.32 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.836 0 O-C-N 124.37 1.044 . . . . 10.0 112.566 -178.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' OD1' ' HB2' ' A' ' 17' ' ' ASP . 3.4 t0 -127.54 104.62 7.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.774 -1.103 . . . . 10.0 108.042 179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.38 -26.37 52.84 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.507 -1.224 . . . . 10.0 112.338 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' HB2' ' OD1' ' A' ' 15' ' ' ASP . 5.1 m-20 -67.22 -31.09 71.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.088 0.47 . . . . 10.0 109.956 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.582 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -93.48 145.19 29.51 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.459 -0.791 . . . . 10.0 109.122 179.508 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.86 77.7 3.24 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 121.936 1.757 . . . . 10.0 114.283 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.582 HG13 ' HG3' ' A' ' 18' ' ' LYS . 3.3 m -145.87 145.67 20.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.14 0.495 . . . . 10.0 109.773 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 6.1 p -117.64 159.64 22.59 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.723 -0.843 . . . . 10.0 108.723 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -108.64 157.69 18.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.415 0.626 . . . . 10.0 110.313 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.596 ' CE1' ' HE1' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -155.63 175.94 13.26 Favored 'General case' 0 C--O 1.202 -1.413 0 CA-C-N 115.015 -0.993 . . . . 10.0 108.405 -178.664 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.576 ' HB2' ' H72' ' B' ' 8' ' ' ' DT' . 7.6 mtpt -110.09 166.71 10.73 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.927 ' CD1' HD11 ' A' ' 53' ' ' ILE . 2.2 m-85 -57.91 157.27 15.98 Favored Pre-proline 0 N--CA 1.478 0.945 0 CA-C-N 118.065 0.393 . . . . 10.0 110.804 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.575 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.2 Cg_endo -69.41 75.41 1.07 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.576 2.184 . . . . 10.0 110.402 177.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 27' ' ' LEU . 19.6 mt -67.89 -23.57 65.13 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.441 0.639 . . . . 10.0 110.788 -178.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -94.76 11.34 31.78 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.187 -0.915 . . . . 10.0 110.376 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.531 ' HB2' ' HB2' ' A' ' 26' ' ' PRO . 0.3 OUTLIER -144.46 60.7 7.93 Favored Pre-proline 0 C--O 1.218 -0.591 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 179.126 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.5 Cg_endo -49.36 -58.57 1.66 Allowed 'Trans proline' 0 C--O 1.22 -0.422 0 C-N-CA 123.785 2.99 . . . . 10.0 116.326 -176.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -50.62 -47.99 58.17 Favored 'General case' 0 N--CA 1.463 0.193 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.55 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.5 tm? -65.15 -35.83 82.33 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.895 -1.048 . . . . 10.0 109.074 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.89 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.9 t -60.92 -36.84 80.35 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.572 1.177 . . . . 10.0 108.785 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.0 OUTLIER -68.19 -31.07 70.34 Favored 'General case' 0 N--CA 1.433 -1.29 0 CA-C-N 113.061 -1.881 . . . . 10.0 112.933 -177.224 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -74.3 -17.59 60.83 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 117.842 -1.543 . . . . 10.0 109.707 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -63.54 -29.48 70.73 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 107.508 -1.293 . . . . 10.0 107.508 177.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -34.91 79.23 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.583 -0.895 . . . . 10.0 108.583 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.3 -26.23 68.3 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 115.081 -0.963 . . . . 10.0 110.598 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.74 -27.19 29.1 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.698 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 36' ' ' TRP . 1.5 t -89.31 49.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 CA-C-O 121.93 0.872 . . . . 10.0 108.824 179.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.8 14.26 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.199 -1.364 . . . . 10.0 114.157 -178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -105.47 155.46 19.14 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 121.646 -0.659 . . . . 10.0 112.343 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 tttt -56.08 -43.82 78.38 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.851 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.85 64.6 6.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.009 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.427 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 14.0 t80 -65.22 114.24 4.56 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.707 -1.22 . . . . 10.0 107.707 177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.91 177.26 0.9 Allowed Pre-proline 0 C--N 1.318 -0.785 0 CA-C-N 115.613 -0.722 . . . . 10.0 111.226 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.625 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 77.6 Cg_exo -46.94 157.91 0.49 Allowed 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 122.334 2.023 . . . . 10.0 114.11 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.497 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 21.6 p -79.04 -169.93 2.01 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 113.964 -1.471 . . . . 10.0 113.901 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.809 ' HA ' ' CG ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -55.14 -10.26 0.51 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 113.78 -1.555 . . . . 10.0 114.04 -178.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.773 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 63.6 m-85 -81.53 -30.31 33.22 Favored 'General case' 0 N--CA 1.441 -0.921 0 C-N-CA 119.349 -0.941 . . . . 10.0 110.1 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.625 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 12.3 p -73.86 172.96 10.6 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 120.253 -0.579 . . . . 10.0 109.818 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.484 ' H ' ' HA ' ' A' ' 1' ' ' MET . 0.2 OUTLIER -106.67 147.63 29.33 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.337 0.589 . . . . 10.0 112.114 -176.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.927 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.4 mp -115.55 163.86 12.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 115.358 -0.837 . . . . 10.0 109.577 -177.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.9 p -114.35 158.28 21.69 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-O 121.419 0.628 . . . . 10.0 112.504 -178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.565 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.0 p -47.36 -58.07 4.56 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -175.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -41.64 -16.73 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.432 1.641 . . . . 10.0 115.432 -178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.474 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 92.4 m-70 -86.57 -17.55 33.7 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.596 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.35 164.09 26.42 Favored 'General case' 0 CA--C 1.507 -0.689 0 CA-C-N 118.51 0.595 . . . . 10.0 110.534 179.512 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.644 ' HB ' ' OD1' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -76.0 144.19 75.36 Favored Pre-proline 0 N--CA 1.438 -1.059 0 CA-C-N 115.237 -0.892 . . . . 10.0 109.333 178.64 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.749 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 5.8 Cg_endo -46.87 -35.56 18.27 Favored 'Trans proline' 0 CA--C 1.517 -0.347 0 C-N-CA 123.684 2.923 . . . . 10.0 111.601 178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.644 ' OD1' ' HB ' ' A' ' 59' ' ' THR . 0.3 OUTLIER -57.88 -41.65 82.96 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.796 -1.093 . . . . 10.0 110.81 179.469 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.605 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -93.42 -3.68 52.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.624 -0.717 . . . . 10.0 112.294 -178.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.749 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -32.5 -54.18 0.33 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.344 1.979 . . . . 10.0 116.344 -176.389 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.445 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 12.2 ptpt -175.46 -141.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.028 0.831 . . . . 10.0 113.031 -176.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.457 ' CD ' " H4'" ' B' ' 7' ' ' ' DG' . 2.0 ptm180 -64.41 -10.32 24.1 Favored 'General case' 0 C--N 1.346 0.454 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.906 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' H ' ' HG3' ' A' ' 64' ' ' LYS . 52.1 mt-10 -84.57 6.18 24.82 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.477 -0.564 . . . . 10.0 109.477 178.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 71' ' ' LEU . 25.0 t -74.28 -115.88 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.71 -0.677 . . . . 10.0 111.029 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -84.31 -76.4 0.3 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 111.496 0.184 . . . . 10.0 111.496 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -99.92 -70.41 0.73 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.902 0.334 . . . . 10.0 111.902 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -140.92 1.31 1.66 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.056 0.391 . . . . 10.0 112.056 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.798 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -152.84 177.81 10.33 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.645 -0.422 . . . . 10.0 111.277 179.5 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -60.27 166.58 2.88 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-O 121.545 0.688 . . . . 10.0 111.937 -178.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' HB3' ' A' ' 76' ' ' ALA . 0.0 OUTLIER -76.31 120.96 22.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-N 115.351 -0.84 . . . . 10.0 109.075 179.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.55 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -48.9 -23.43 1.1 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.077 -0.965 . . . . 10.0 113.596 -179.075 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -99.81 8.75 43.96 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 112.675 0.62 . . . . 10.0 112.675 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.538 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -113.0 126.18 55.22 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.273 0.558 . . . . 10.0 111.252 179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -133.49 135.78 25.79 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.221 -0.899 . . . . 10.0 109.608 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.533 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 10.1 Cg_endo -50.55 103.51 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 124.789 3.659 . . . . 10.0 113.783 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.2 t -103.75 -14.52 16.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.564 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.468 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -73.06 5.82 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 CA-C-N 115.336 -0.847 . . . . 10.0 111.545 -179.232 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.4 m-30 -46.22 -49.19 17.45 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 112.536 0.569 . . . . 10.0 112.536 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.2 165.25 7.32 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.788 -0.449 . . . . 10.0 109.788 -179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -74.18 -55.6 5.88 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -158.19 -64.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.657 -0.701 . . . . 10.0 110.161 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 7.3 p -161.47 139.2 6.82 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 11.2 Cg_exo -68.93 167.56 22.97 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.793 2.328 . . . . 10.0 110.73 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.933 -0.556 . . . . 10.0 111.06 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.933 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.632 0 O4'-C4'-C3' 104.717 -0.883 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.933 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-N19 108.871 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.895 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C1'-N19 108.87 1.338 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.895 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.628 1.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.759 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O3'-P-O5' 102.372 -0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.759 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-N19 108.683 1.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.91 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.055 1.569 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.91 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.75 1.188 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.47 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.267 0 O4'-C1'-N19 108.914 1.393 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.822 " H2'" HG11 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.3 0 O4'-C1'-N19 109.773 2.466 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.589 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.94 0 O3'-P-O5' 99.51 -2.363 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.702 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 C2'-C3'-O3' 113.817 1.191 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.702 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.027 0.843 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.861 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 107.022 0.838 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.166 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 109.596 2.246 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.166 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.452 2.46 2 N19-C1'-C2' 103.815 -6.491 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.712 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-N19 109.075 1.594 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.86 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-N19 108.772 1.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.905 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.615 0.701 0 O4'-C1'-C2' 107.043 0.857 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.905 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.826 1.016 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.497 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 O4'-C1'-N19 108.694 1.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.773 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.08 0 O4'-C1'-N19 109.506 2.132 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.633 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 P-O5'-C5' 118.528 -1.483 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-N19 108.911 1.389 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.425 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.422 -1.096 0 O4'-C1'-N19 108.9 1.375 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.459 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-N19 108.855 1.319 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.689 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 O4'-C4'-C3' 104.74 -0.86 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.689 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-N19 108.867 1.334 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 104.63 -0.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.505 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 104.461 -1.139 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.617 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O3'-P-O5' 102.612 -0.73 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.617 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 102.38 -0.82 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 ptp . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.189 -0.3 . . . . 10.0 110.189 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.566 HG22 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -109.04 12.49 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.099 0.476 . . . . 10.0 109.995 178.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -66.37 -51.02 61.45 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.728 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.2 p -173.44 152.43 2.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.399 -0.593 . . . . 10.0 109.399 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.73 172.47 12.58 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 123.186 0.304 . . . . 10.0 110.78 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -67.48 0.45 3.01 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.179 0.807 . . . . 10.0 113.179 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.82 174.35 11.7 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.503 -0.555 . . . . 10.0 109.503 178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -103.86 103.84 13.75 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 122.069 0.937 . . . . 10.0 110.554 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.11 -9.17 56.23 Favored Glycine 0 C--N 1.314 -0.664 0 CA-C-N 115.178 -0.919 . . . . 10.0 114.277 177.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.4 t -76.68 73.98 3.36 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.581 0.586 . . . . 10.0 112.581 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -83.42 42.08 0.81 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.357 0.599 . . . . 10.0 109.498 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -87.51 49.29 1.78 Allowed 'General case' 0 CA--C 1.511 -0.52 0 CA-C-N 115.633 -0.712 . . . . 10.0 111.163 -178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -42.56 136.38 2.49 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 113.92 -1.491 . . . . 10.0 110.809 178.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -28.18 108.62 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.478 1.111 . . . . 10.0 112.709 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -126.99 112.6 15.43 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.077 -1.083 . . . . 10.0 108.077 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -54.51 -29.1 49.37 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.589 -0.732 . . . . 10.0 112.858 -178.324 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 2.4 m-20 -71.88 -29.91 64.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.069 0.461 . . . . 10.0 111.108 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.27 146.95 32.84 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.654 -179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -87.93 76.99 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 121.952 1.768 . . . . 10.0 114.075 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 m -145.44 137.38 20.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.188 0.518 . . . . 10.0 110.056 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.3 p -109.77 164.56 12.45 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -109.08 158.51 17.69 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.206 0.527 . . . . 10.0 109.653 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.63 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.02 173.62 16.32 Favored 'General case' 0 C--O 1.202 -1.396 0 CA-C-N 115.621 -0.718 . . . . 10.0 109.317 -178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.813 ' HG3' ' H72' ' B' ' 8' ' ' ' DT' . 6.4 mtmm -109.13 166.7 10.65 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 108.232 -1.025 . . . . 10.0 108.232 177.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.837 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.43 157.38 18.28 Favored Pre-proline 0 N--CA 1.474 0.752 0 CA-C-N 118.379 0.536 . . . . 10.0 111.435 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.47 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 64.0 Cg_endo -70.4 73.94 1.62 Allowed 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.025 2.483 . . . . 10.0 110.218 177.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' HA ' HD23 ' A' ' 27' ' ' LEU . 21.8 mt -68.03 -22.29 64.98 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.181 0.515 . . . . 10.0 111.411 -177.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.717 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 46.4 p -95.09 10.72 34.72 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-O 121.61 0.719 . . . . 10.0 110.759 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -145.98 62.69 8.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 108.054 -1.091 . . . . 10.0 108.054 178.681 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 4.5 Cg_endo -47.16 -53.97 5.65 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.906 3.07 . . . . 10.0 115.504 -176.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -50.37 -48.3 55.82 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.575 0.702 . . . . 10.0 109.372 179.752 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.641 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.1 tm? -64.34 -38.0 89.51 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.639 -1.164 . . . . 10.0 109.07 178.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.837 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 19.8 t -59.58 -37.16 77.77 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 122.6 1.19 . . . . 10.0 109.008 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.5 OUTLIER -67.52 -32.57 73.46 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-N 113.227 -1.806 . . . . 10.0 112.832 -177.064 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.2 pt-20 -74.24 -19.92 60.34 Favored 'General case' 0 CA--C 1.506 -0.737 0 C-N-CA 117.812 -1.555 . . . . 10.0 109.674 -179.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.677 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.1 m0 -62.36 -31.62 72.29 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.302 -1.37 . . . . 10.0 107.302 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -64.65 -34.1 77.5 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 108.845 -0.798 . . . . 10.0 108.845 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -63.47 -25.3 68.2 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.354 -0.839 . . . . 10.0 110.861 -179.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.47 -26.42 23.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.52 49.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.549 0.69 . . . . 10.0 109.363 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -72.6 12.3 0.5 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.359 -0.837 . . . . 10.0 112.712 -178.828 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.5 tpt180 -81.56 147.19 29.76 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.441 -0.207 . . . . 10.0 110.441 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -55.59 -49.51 72.57 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.183 0.516 . . . . 10.0 110.383 178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -83.11 64.67 7.79 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.657 -0.702 . . . . 10.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.521 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 4.7 t80 -55.91 117.76 3.99 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.399 -0.963 . . . . 10.0 108.399 177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -64.36 -178.38 0.25 Allowed Pre-proline 0 C--O 1.22 -0.452 0 CA-C-N 115.411 -0.813 . . . . 10.0 111.635 -179.059 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.486 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 74.9 Cg_exo -49.01 161.41 0.53 Allowed 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.183 1.922 . . . . 10.0 113.677 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.47 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 23.1 p -78.25 -170.4 1.98 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 114.164 -1.38 . . . . 10.0 113.527 -175.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.637 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -61.04 -7.1 2.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 113.891 -1.504 . . . . 10.0 113.108 -178.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.703 ' CD2' " H2'" ' C' ' 22' ' ' ' DC' . 66.0 m-85 -81.82 -27.49 33.6 Favored 'General case' 0 N--CA 1.438 -1.032 0 C-N-CA 119.12 -1.032 . . . . 10.0 108.733 178.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -72.25 171.51 11.96 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 115.906 -0.588 . . . . 10.0 110.081 179.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.68 144.67 37.73 Favored 'General case' 0 N--CA 1.436 -1.152 0 CA-C-O 121.443 0.64 . . . . 10.0 112.18 -177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.705 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.6 mp -112.39 165.7 7.08 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.387 0 CA-C-N 115.091 -0.958 . . . . 10.0 109.299 -177.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.53 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 32.0 p -117.44 157.33 26.42 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.079 0.77 . . . . 10.0 113.079 -178.18 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.63 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 15.6 t -38.06 -65.37 0.34 Allowed 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 116.021 1.859 . . . . 10.0 116.021 -176.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -36.96 -24.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.823 1.786 . . . . 10.0 115.823 -177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 88.2 m-70 -78.37 -20.41 51.33 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 113.342 0.867 . . . . 10.0 113.342 -177.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.61 149.27 51.45 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 109.781 -0.451 . . . . 10.0 109.781 178.689 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 p -67.19 149.12 98.63 Favored Pre-proline 0 C--N 1.315 -0.892 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.394 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.03 -35.75 19.44 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.242 2.628 . . . . 10.0 110.595 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.35 -41.5 97.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.647 -1.161 . . . . 10.0 109.632 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.629 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 5.5 m -87.66 0.21 56.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.101 -0.954 . . . . 10.0 113.302 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.611 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -75.83 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 116.199 1.926 . . . . 10.0 116.199 -176.269 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.531 ' HE3' ' OE2' ' A' ' 66' ' ' GLU . 25.4 pttt -172.76 -130.49 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.709 0.686 . . . . 10.0 112.673 -176.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.8 ptm180 -62.38 -10.97 12.97 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.478 0.711 . . . . 10.0 112.286 -179.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.531 ' OE2' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -76.87 5.17 8.3 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.935 -0.765 . . . . 10.0 108.935 177.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 27.6 t -70.6 -116.78 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 115.499 -0.773 . . . . 10.0 111.918 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.53 -71.59 0.66 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.874 0.369 . . . . 10.0 111.92 -178.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 1.6 p-10 -102.68 -62.04 1.32 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.681 0.623 . . . . 10.0 112.681 -178.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 30.6 mmtm -146.73 -11.78 0.45 Allowed 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 113.561 0.948 . . . . 10.0 113.561 -178.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.807 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -140.59 177.52 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 119.45 -0.9 . . . . 10.0 112.841 -178.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.807 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -64.45 -178.59 0.39 Allowed 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 122.407 1.099 . . . . 10.0 113.924 -177.287 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 67' ' ' SER . 0.1 OUTLIER -79.77 120.71 24.41 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 113.342 -1.753 . . . . 10.0 109.057 179.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' HD23 ' A' ' 32' ' ' LEU . 23.9 tt0 -55.54 -25.73 39.27 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.444 0.64 . . . . 10.0 111.57 178.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -100.37 18.12 19.75 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 112.638 0.607 . . . . 10.0 112.638 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.641 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -121.4 126.74 50.1 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 121.232 0.539 . . . . 10.0 111.835 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.525 ' O ' HG23 ' A' ' 79' ' ' THR . 0.9 OUTLIER -137.26 139.25 27.41 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 115.41 -0.813 . . . . 10.0 110.408 -179.304 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 8.5 Cg_endo -50.74 109.7 0.33 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 124.272 3.315 . . . . 10.0 113.315 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.525 HG23 ' O ' ' A' ' 77' ' ' VAL . 43.8 p -107.54 -16.2 14.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.778 0.799 . . . . 10.0 110.554 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.463 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -76.56 7.34 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 114.478 -1.237 . . . . 10.0 111.848 -178.51 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 4.5 m-30 -42.91 -44.33 4.52 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.802 0.668 . . . . 10.0 112.802 -179.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -164.12 163.4 23.1 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 120.966 0.413 . . . . 10.0 110.645 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.03 -34.75 75.35 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 123.541 0.736 . . . . 10.0 112.839 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 ' O ' ' HD3' ' A' ' 86' ' ' PRO . 2.0 tm? -63.82 -33.67 76.21 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.768 -177.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 5.0 m -91.1 109.11 33.06 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 121.369 0.604 . . . . 10.0 110.299 178.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.511 ' HD3' ' O ' ' A' ' 84' ' ' LEU . 5.4 Cg_exo -73.02 159.72 47.25 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 123.202 2.602 . . . . 10.0 112.471 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.203 -0.903 . . . . 10.0 110.138 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.818 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 O4'-C4'-C3' 104.75 -0.85 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.818 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-N19 108.534 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.82 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.812 1.264 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.82 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.292 1.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.687 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.659 0 O4'-C1'-N19 108.477 0.847 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.717 " H3'" HG21 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.55 -1.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.929 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 O4'-C1'-N19 108.912 1.39 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.929 ' H71' " C2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 107.199 0.999 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.472 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.232 0 O4'-C1'-N19 109.393 1.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.566 " H2'" HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.288 0 P-O5'-C5' 118.009 -1.807 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.597 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.596 -0.938 0 O3'-P-O5' 100.989 -1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.597 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C2'-C3'-O3' 113.184 0.957 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.616 H2'' ' C8 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 104.801 -0.799 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.881 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.123 0.93 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.175 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C1'-N19 109.494 2.117 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.175 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.278 2 N19-C1'-C2' 103.401 -6.75 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.652 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C1'-N19 109.158 1.698 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.764 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.845 0 O4'-C1'-N19 108.685 1.106 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.875 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.103 0.912 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.875 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 107.4 1.182 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.486 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 O4'-C1'-C2' 107.055 0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.703 " H2'" ' CD2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-N19 109.254 1.818 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.676 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-N19 108.992 1.49 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-N19 109.249 1.811 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C1'-N19 108.705 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.456 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O3'-P-O5' 101.679 -1.222 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.634 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C1'-C2' 107.08 0.891 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.634 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-N19 108.82 1.275 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.602 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-N19 108.619 1.023 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.563 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 107.08 0.89 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.637 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 107.107 0.915 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.637 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.688 0 N19-C1'-C2' 115.585 0.866 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 109.215 -0.661 . . . . 10.0 109.215 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.453 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 5.9 m -83.93 34.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 112.211 0.449 . . . . 10.0 112.211 -179.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.43 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 39.8 mt-30 -113.99 -58.93 2.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.88 157.18 1.44 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.804 -0.813 . . . . 10.0 108.804 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 1.6 m -79.08 173.49 12.52 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.93 -0.396 . . . . 10.0 109.93 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.67 4.62 4.81 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.981 0.42 . . . . 10.0 111.508 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.91 -172.36 3.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.299 0.571 . . . . 10.0 111.66 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -104.71 88.54 2.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.336 -178.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.19 4.86 56.34 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.572 -0.823 . . . . 10.0 113.867 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.5 t -82.68 73.92 9.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 117.33 0.565 . . . . 10.0 112.213 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -85.2 45.36 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.155 -0.684 . . . . 10.0 109.155 177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.72 48.75 1.1 Allowed 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 115.124 -0.944 . . . . 10.0 111.298 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.95 128.15 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.875 1.36 . . . . 10.0 110.476 178.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -30.45 108.11 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 O-C-N 124.116 0.885 . . . . 10.0 112.58 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.537 ' OD2' ' HB2' ' A' ' 17' ' ' ASP . 19.8 t70 -128.54 111.43 13.24 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.123 -1.065 . . . . 10.0 108.123 179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -59.58 -26.72 65.65 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.367 -0.833 . . . . 10.0 112.36 -178.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.537 ' HB2' ' OD2' ' A' ' 15' ' ' ASP . 73.8 m-20 -70.12 -29.73 66.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.855 0.36 . . . . 10.0 110.118 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -90.74 141.06 26.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.516 179.486 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -80.73 77.12 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.877 1.718 . . . . 10.0 113.975 -178.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.515 HG13 ' HG3' ' A' ' 18' ' ' LYS . 2.8 m -147.87 150.18 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 10.0 109.611 177.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.5 m -126.03 163.77 22.31 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.489 -0.93 . . . . 10.0 108.489 178.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -108.71 161.07 15.44 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.526 -0.469 . . . . 10.0 110.017 179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.624 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -155.57 175.37 13.98 Favored 'General case' 0 C--O 1.206 -1.211 0 N-CA-C 108.785 -0.82 . . . . 10.0 108.785 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -107.91 167.04 10.27 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 108.094 -1.076 . . . . 10.0 108.094 177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.741 ' CD1' HD11 ' A' ' 53' ' ' ILE . 1.3 m-85 -59.94 157.59 29.74 Favored Pre-proline 0 N--CA 1.472 0.627 0 CA-C-N 118.308 0.504 . . . . 10.0 110.447 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.541 ' HB3' ' CD1' ' A' ' 72' ' ' LEU . 57.6 Cg_endo -69.69 75.24 1.2 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.443 2.095 . . . . 10.0 109.983 176.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 27' ' ' LEU . 24.7 mt -67.59 -24.93 65.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.478 0.656 . . . . 10.0 110.885 -177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.4 p -93.09 9.4 36.01 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-N 115.057 -0.974 . . . . 10.0 110.591 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.494 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -142.83 60.3 9.28 Favored Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.075 -0.966 . . . . 10.0 108.419 179.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 6.6 Cg_endo -49.07 -58.3 1.84 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.781 2.988 . . . . 10.0 116.209 -176.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.52 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 19.6 m -52.04 -45.16 64.57 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 118.876 0.762 . . . . 10.0 109.438 -179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.578 ' HG ' ' HA ' ' A' ' 74' ' ' GLU . 1.4 tm? -67.02 -35.21 79.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.884 178.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.72 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 52.3 t -60.61 -36.39 78.47 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 122.657 1.218 . . . . 10.0 108.597 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 31' ' ' SER . 0.1 OUTLIER -66.71 -32.7 74.18 Favored 'General case' 0 N--CA 1.433 -1.318 0 CA-C-N 113.038 -1.892 . . . . 10.0 112.636 -177.011 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -73.34 -19.31 61.04 Favored 'General case' 0 CA--C 1.507 -0.702 0 C-N-CA 117.664 -1.615 . . . . 10.0 109.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.676 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.2 m0 -62.28 -31.07 71.61 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 107.618 -1.253 . . . . 10.0 107.618 178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -63.65 -36.11 82.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.517 -0.92 . . . . 10.0 108.517 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.47 -26.54 68.77 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.977 -1.01 . . . . 10.0 111.031 -179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.79 -25.41 30.47 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.52 -0.548 . . . . 10.0 109.52 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.0 t -90.2 45.05 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 CA-C-O 121.885 0.85 . . . . 10.0 108.914 179.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.7 14.66 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 114.426 1.269 . . . . 10.0 114.426 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -100.58 153.6 19.26 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.764 -0.585 . . . . 10.0 111.533 -179.051 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -58.23 -45.31 87.94 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.801 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -81.36 65.94 6.7 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.219 0.533 . . . . 10.0 110.879 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' O ' " H3'" ' C' ' 20' ' ' ' DT' . 20.6 t80 -61.81 122.47 15.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.108 -0.951 . . . . 10.0 108.559 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -68.17 179.51 0.62 Allowed Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.358 -178.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.702 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 56.4 Cg_exo -49.64 159.81 1.32 Allowed 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 121.995 1.797 . . . . 10.0 113.348 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.457 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 25.1 p -78.4 -172.1 2.72 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.866 -1.061 . . . . 10.0 113.325 -175.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.651 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -56.37 -9.04 0.6 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.033 1.123 . . . . 10.0 114.033 -178.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.761 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 69.7 m-85 -80.15 -29.62 38.83 Favored 'General case' 0 N--CA 1.436 -1.158 0 C-N-CA 119.233 -0.987 . . . . 10.0 109.701 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.702 ' OG ' ' HB2' ' A' ' 47' ' ' PRO . 6.9 p -73.31 172.55 10.99 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.974 0.416 . . . . 10.0 110.128 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -109.84 143.73 39.3 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 112.401 0.519 . . . . 10.0 112.401 -177.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.741 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.0 mp -112.11 164.76 7.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 C-N-CA 124.035 0.934 . . . . 10.0 109.742 -177.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.553 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 18.1 p -112.69 158.61 19.82 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 118.99 0.814 . . . . 10.0 112.639 -178.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.624 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 25.8 p -50.11 -56.51 10.59 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 116.935 2.198 . . . . 10.0 116.935 -175.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.53 -18.35 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.484 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 86.8 m-70 -81.38 -19.0 43.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 113.722 1.008 . . . . 10.0 113.722 -178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.584 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.13 170.79 13.1 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 121.31 0.576 . . . . 10.0 110.485 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.96 144.85 64.48 Favored Pre-proline 0 N--CA 1.434 -1.25 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.276 178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.687 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.8 Cg_endo -47.1 -35.26 18.94 Favored 'Trans proline' 0 CA--C 1.515 -0.428 0 C-N-CA 123.528 2.819 . . . . 10.0 111.836 179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -61.96 -41.14 97.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.127 -0.942 . . . . 10.0 110.466 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.618 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -92.08 1.63 57.08 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.484 -0.78 . . . . 10.0 111.693 -178.383 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.687 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -36.88 -58.15 0.77 Allowed 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 -178.231 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.527 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 32.8 pttt -175.43 -131.09 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 111.709 0.263 . . . . 10.0 111.709 -179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 2.3 ptm180 -64.53 -11.59 35.73 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 111.907 0.336 . . . . 10.0 111.907 -179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -86.45 6.0 32.47 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.846 -0.428 . . . . 10.0 109.846 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.458 ' OG ' ' HD2' ' A' ' 73' ' ' LYS . 4.8 t -70.29 -100.33 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.84 -0.618 . . . . 10.0 111.36 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -101.6 -72.97 0.67 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.132 0.491 . . . . 10.0 111.226 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -104.91 -70.45 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.035 -0.529 . . . . 10.0 111.331 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -140.36 0.46 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.452 -0.499 . . . . 10.0 111.805 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.772 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -148.39 172.52 14.3 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.917 -0.313 . . . . 10.0 110.992 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.772 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -59.81 166.74 2.46 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.642 0.589 . . . . 10.0 111.828 -179.184 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HD2' ' OG ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -74.42 121.29 21.2 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 178.574 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.578 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.45 -19.75 1.53 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.785 -1.098 . . . . 10.0 112.633 179.597 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.25 14.35 32.19 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.279 0.474 . . . . 10.0 112.279 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.441 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.98 127.18 48.48 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.554 0.692 . . . . 10.0 112.329 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.406 HG23 ' HD2' ' A' ' 78' ' ' PRO . 1.2 p -132.36 137.31 29.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.103 -0.953 . . . . 10.0 109.517 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.591 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 7.8 Cg_endo -49.17 100.95 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 124.489 3.459 . . . . 10.0 113.93 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.1 t -100.57 -15.95 17.64 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.344 -0.844 . . . . 10.0 110.663 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.5 OUTLIER -76.48 6.13 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.082 -0.963 . . . . 10.0 111.451 -178.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.591 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 3.5 m-30 -45.62 -59.8 2.55 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.87 0.693 . . . . 10.0 112.87 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -168.68 160.45 10.67 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 10.0 110.303 -178.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -65.28 -72.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.794 0.684 . . . . 10.0 110.151 179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -148.33 -69.34 0.22 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.405 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.6 p -149.82 129.24 6.39 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.989 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -67.85 157.87 59.85 Favored 'Trans proline' 0 N--CA 1.463 -0.27 0 C-N-CA 122.796 2.331 . . . . 10.0 111.113 178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.498 ' O ' ' HD3' ' A' ' 87' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.783 0 CA-C-O 118.823 -0.608 . . . . 10.0 110.781 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.78 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.533 0 O4'-C4'-C3' 104.795 -0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.78 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-N19 108.598 0.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.894 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-N19 109.036 1.545 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.894 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C4'-C3' 104.467 -1.133 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.689 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 O4'-C1'-C2' 107.088 0.898 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.692 " H1'" ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C1'-C2' 107.24 1.036 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.962 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.51 -0.757 0 O4'-C1'-N19 109.169 1.711 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.962 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-N19 109.068 1.585 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.452 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.34 0 O4'-C1'-N19 108.758 1.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.452 ' OP2' H2'' ' B' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.169 0 O4'-C1'-N19 109.521 2.152 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.44 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.593 -1.148 0 O3'-P-O5' 101.143 -1.504 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.547 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 C2'-C3'-O3' 113.698 1.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.547 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.128 0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.925 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.692 0 O4'-C1'-C2' 107.19 0.991 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.168 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-N19 109.356 1.945 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.168 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.325 2 N19-C1'-C2' 103.84 -6.475 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.628 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-N19 109.038 1.548 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.801 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-N19 108.924 1.404 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.801 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C1'-C2' 107.062 0.875 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.638 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.155 0.959 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.457 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.177 0.979 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.761 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C1'-N19 109.077 1.596 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.644 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 P-O5'-C5' 118.663 -1.398 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-N19 108.834 1.292 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.438 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 108.901 1.376 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.475 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-N19 108.831 1.289 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.838 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 107.066 0.878 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.838 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.152 0.956 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.673 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.3 1.091 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.614 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C1'-C2' 107.121 0.928 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.614 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 107.161 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.553 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 N19-C1'-C2' 115.74 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' H72' ' C' ' 20' ' ' ' DT' . 14.2 ptp . . . . . 0 N--CA 1.482 1.147 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.693 HG22 " H2'" ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -110.61 12.89 8.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 178.507 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.606 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 19.8 mt-30 -68.29 -41.04 81.54 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.753 -0.658 . . . . 10.0 110.974 -179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.4 p -175.32 154.7 1.75 Allowed 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 175.36 10.06 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.185 0.303 . . . . 10.0 110.213 179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 m -72.42 -0.67 13.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.674 0.62 . . . . 10.0 112.674 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.7 176.15 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.906 -0.775 . . . . 10.0 108.906 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.455 ' CD1' ' O ' ' A' ' 8' ' ' TYR . 16.7 p90 -103.87 82.83 2.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 122.36 1.076 . . . . 10.0 111.704 -178.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.42 -8.3 9.59 Favored Glycine 0 C--N 1.311 -0.811 0 C-N-CA 120.567 -0.825 . . . . 10.0 113.633 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.7 t -82.88 73.68 9.9 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.506 0.558 . . . . 10.0 112.506 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 11.5 ptmt -90.48 47.94 1.49 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.795 0.807 . . . . 10.0 109.942 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.02 49.23 1.35 Allowed 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 114.58 -1.191 . . . . 10.0 110.837 -179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -32.89 132.21 0.15 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.346 -1.297 . . . . 10.0 111.305 178.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.533 ' HB2' ' CG1' ' A' ' 2' ' ' VAL . 0.1 OUTLIER -27.52 107.74 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.833 0 O-C-N 124.306 1.004 . . . . 10.0 112.434 -179.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 18' ' ' LYS . 3.7 t0 -125.83 108.36 11.4 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.246 -1.02 . . . . 10.0 108.246 179.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -57.38 -25.87 60.16 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.01 -0.995 . . . . 10.0 112.423 -178.237 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -71.17 -29.62 65.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.552 0.692 . . . . 10.0 110.14 -179.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.51 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.32 149.73 36.58 Favored Pre-proline 0 C--N 1.319 -0.76 0 CA-C-N 115.244 -0.889 . . . . 10.0 109.98 178.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -88.57 76.88 1.49 Allowed 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 121.795 1.663 . . . . 10.0 114.249 -178.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.6 m -144.54 133.98 19.04 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 N-CA-C 109.729 -0.471 . . . . 10.0 109.729 177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 p -107.18 162.45 13.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 178.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -108.35 161.85 14.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.26 0.552 . . . . 10.0 109.97 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.714 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -156.39 175.14 14.4 Favored 'General case' 0 C--O 1.205 -1.278 0 CA-C-N 115.374 -0.83 . . . . 10.0 108.997 -179.201 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -111.9 166.52 11.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.128 -1.064 . . . . 10.0 108.128 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.841 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.9 m-85 -60.44 157.13 37.51 Favored Pre-proline 0 N--CA 1.474 0.758 0 CA-C-N 118.258 0.481 . . . . 10.0 111.541 179.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 58.1 Cg_endo -69.71 73.62 1.33 Allowed 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.12 2.546 . . . . 10.0 110.01 176.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 27' ' ' LEU . 20.3 mt -67.41 -23.2 65.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.446 0.641 . . . . 10.0 111.249 -177.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.783 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 67.8 p -90.34 5.03 49.08 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.219 -0.901 . . . . 10.0 111.422 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.522 ' HG2' ' CB ' ' A' ' 32' ' ' LEU . 3.0 ttm180 -146.52 64.87 9.84 Favored Pre-proline 0 N--CA 1.446 -0.634 0 N-CA-C 108.301 -1.0 . . . . 10.0 108.301 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.6 Cg_endo -44.82 -51.86 6.89 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.775 2.983 . . . . 10.0 114.79 -178.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.32 -51.07 36.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.385 0.612 . . . . 10.0 109.726 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 HD21 ' O ' ' A' ' 76' ' ' ALA . 1.0 OUTLIER -64.51 -35.89 82.43 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.274 -0.875 . . . . 10.0 109.033 178.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.841 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 43.1 t -60.79 -36.67 79.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.513 1.149 . . . . 10.0 108.899 -179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.3 tttt -67.21 -32.12 72.96 Favored 'General case' 0 N--CA 1.427 -1.577 0 CA-C-N 113.042 -1.89 . . . . 10.0 112.883 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 0.9 OUTLIER -73.89 -20.17 60.49 Favored 'General case' 0 CA--C 1.502 -0.898 0 C-N-CA 117.873 -1.531 . . . . 10.0 109.404 -179.121 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.689 ' O ' HG23 ' A' ' 40' ' ' VAL . 15.2 m0 -61.82 -32.62 72.94 Favored 'General case' 0 N--CA 1.44 -0.946 0 N-CA-C 107.418 -1.327 . . . . 10.0 107.418 178.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.89 -36.05 82.67 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -61.64 -26.14 67.81 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.111 -0.95 . . . . 10.0 110.697 -179.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.33 -27.07 23.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.557 -0.534 . . . . 10.0 109.557 179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -89.81 43.91 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 178.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.03 12.31 0.23 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.012 0.745 . . . . 10.0 113.012 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.26 156.89 22.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.655 0.264 . . . . 10.0 110.658 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.0 tttm -63.19 -44.05 96.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.268 0.556 . . . . 10.0 109.56 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -81.9 61.53 5.27 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.213 -0.903 . . . . 10.0 111.063 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.501 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 2.7 t80 -64.39 112.77 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.369 -0.975 . . . . 10.0 108.369 178.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.501 ' O ' ' HD1' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -66.77 -178.23 0.33 Allowed Pre-proline 0 C--O 1.22 -0.489 0 CA-C-N 115.552 -0.749 . . . . 10.0 111.956 -179.106 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.548 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 77.8 Cg_exo -47.28 160.33 0.33 Allowed 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.401 2.068 . . . . 10.0 114.61 -178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.432 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 22.6 p -78.89 -168.7 1.52 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 113.584 -1.643 . . . . 10.0 113.721 -175.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.703 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -60.9 -9.13 3.74 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.006 -1.452 . . . . 10.0 113.241 -179.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.747 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 75.3 m-85 -81.37 -25.4 36.34 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.879 -1.128 . . . . 10.0 108.888 178.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.428 ' CB ' ' HB2' ' A' ' 47' ' ' PRO . 0.4 OUTLIER -75.32 171.43 14.22 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-N 115.638 -0.71 . . . . 10.0 109.679 178.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 146.03 36.41 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-O 121.139 0.495 . . . . 10.0 111.642 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.784 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.8 mp -113.04 164.5 8.85 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.47 0 C-N-CA 123.545 0.738 . . . . 10.0 109.132 -177.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.533 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 31.2 p -116.03 157.2 25.01 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.467 0.651 . . . . 10.0 112.734 -177.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.606 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 35.6 t -39.43 -64.78 0.44 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.603 1.705 . . . . 10.0 115.603 -176.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' O ' ' HB ' ' A' ' 80' ' ' ILE . 0.0 OUTLIER -35.41 -23.87 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.892 1.812 . . . . 10.0 115.892 -178.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 83.5 m-70 -81.11 -17.98 48.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 113.715 1.006 . . . . 10.0 113.715 -177.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.714 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -129.78 158.1 40.35 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.318 0.58 . . . . 10.0 109.718 178.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 147.08 90.63 Favored Pre-proline 0 C--N 1.309 -1.187 0 CA-C-N 115.268 -0.878 . . . . 10.0 108.933 177.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.605 ' O ' ' HB2' ' A' ' 63' ' ' PHE . 4.8 Cg_endo -47.25 -35.83 21.11 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 123.031 2.487 . . . . 10.0 110.775 177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.51 -43.6 98.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.795 -1.093 . . . . 10.0 109.581 178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.657 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.1 m -82.33 -1.0 48.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.751 -1.113 . . . . 10.0 112.975 -178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -36.46 -72.51 0.06 Allowed 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -176.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.512 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 4.1 pttt -175.13 -138.22 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.963 0.727 . . . . 10.0 112.963 -176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' H ' ' HB2' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -57.89 -17.67 18.0 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.198 0.999 . . . . 10.0 113.319 -178.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -77.22 6.23 7.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.423 0.63 . . . . 10.0 109.561 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.655 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 16.5 t -67.06 -113.14 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.16 -0.927 . . . . 10.0 112.084 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -101.6 -71.32 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.797 0.332 . . . . 10.0 111.894 -178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' CG ' ' H ' ' A' ' 70' ' ' LYS . 8.7 p-10 -95.44 -68.42 0.8 Allowed 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.512 0.56 . . . . 10.0 112.512 -178.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' H ' ' CG ' ' A' ' 69' ' ' ASN . 18.0 mmtm -147.11 -7.46 0.47 Allowed 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 113.205 0.817 . . . . 10.0 113.205 -177.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.708 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -146.17 -176.23 5.08 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.491 -0.484 . . . . 10.0 112.009 -179.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.708 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -67.07 -178.51 0.79 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 122.067 0.937 . . . . 10.0 113.212 -177.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.657 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -81.25 120.77 25.33 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 113.689 -1.596 . . . . 10.0 108.279 178.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 8.8 tt0 -54.34 -30.08 50.2 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.363 0.602 . . . . 10.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.29 19.88 10.09 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.926 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.539 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -121.79 127.25 50.39 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 121.549 0.69 . . . . 10.0 112.01 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.522 ' O ' HG23 ' A' ' 79' ' ' THR . 0.7 OUTLIER -139.3 140.57 26.37 Favored Pre-proline 0 C--N 1.318 -0.77 0 CA-C-N 114.813 -1.085 . . . . 10.0 109.675 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.479 ' HD2' HG23 ' A' ' 77' ' ' VAL . 10.1 Cg_endo -50.74 112.47 0.77 Allowed 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 124.368 3.379 . . . . 10.0 113.044 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 77' ' ' VAL . 66.8 p -111.61 -16.26 13.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.681 0.753 . . . . 10.0 110.539 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.463 ' HB ' ' HA ' ' A' ' 57' ' ' HIS . 0.4 OUTLIER -80.2 7.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 114.729 -1.123 . . . . 10.0 111.469 -178.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.587 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 1.5 m-30 -43.02 -36.54 1.61 Allowed 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.936 0.717 . . . . 10.0 112.936 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.5 174.9 11.28 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.88 0.371 . . . . 10.0 110.566 179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.25 -34.82 68.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.635 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -65.52 -37.97 88.32 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.083 -0.962 . . . . 10.0 112.455 -178.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.479 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -76.19 115.97 51.72 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.094 0.473 . . . . 10.0 111.666 -179.685 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 85' ' ' VAL . 2.9 Cg_exo -72.5 164.14 36.5 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 123.326 2.684 . . . . 10.0 111.408 178.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' HB3' ' HB ' ' A' ' 79' ' ' THR . 0.8 OUTLIER . . . . . 0 C--O 1.246 0.874 0 CA-C-O 117.78 -1.105 . . . . 10.0 109.81 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.855 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-C2' 106.99 0.809 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.855 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-N19 108.78 1.225 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.844 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-N19 108.921 1.402 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.844 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-N19 108.656 1.07 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.763 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 106.985 0.805 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.783 " H3'" HG21 ' A' ' 28' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 O4'-C1'-N19 108.774 1.217 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.985 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.511 -0.722 0 O4'-C1'-N19 109.058 1.572 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.985 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 O4'-C1'-N19 108.927 1.408 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.497 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.418 -1.372 0 O4'-C1'-N19 109.214 1.768 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.693 " H2'" HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.419 -1.325 0 O4'-C1'-N19 109.761 2.451 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.601 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O3'-P-O5' 100.551 -1.815 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.639 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 107.009 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.639 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 O4'-C1'-C2' 107.159 0.963 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.756 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.144 0.95 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.182 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-N19 109.425 2.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.182 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.292 2 N19-C1'-C2' 104.027 -6.358 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.712 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-N19 108.947 1.434 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.794 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.996 0 O4'-C1'-N19 108.852 1.315 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.794 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.578 0.972 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.757 ' C7 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.294 1.085 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.548 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 O4'-C1'-C2' 107.139 0.944 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.747 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.422 -1.136 0 O4'-C1'-N19 109.051 1.564 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.647 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-N19 108.978 1.473 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-N19 109.461 2.077 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C1'-N19 109.073 1.592 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.413 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-N19 108.835 1.294 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.674 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 O4'-C4'-C3' 104.673 -0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.674 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-N19 108.582 0.978 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.584 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.261 1.056 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.532 ' C8 ' H2'' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-N19 108.784 1.23 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.576 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 O4'-C1'-C2' 106.95 0.773 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.576 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.952 0.775 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.431 ' SD ' ' HG2' ' A' ' 47' ' ' PRO . 16.8 ptp . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.093 -0.336 . . . . 10.0 110.093 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.577 HG11 ' HB2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -122.76 12.95 5.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.564 -0.532 . . . . 10.0 109.564 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.585 ' NE2' ' H71' ' C' ' 20' ' ' ' DT' . 23.8 mt-30 -62.6 -36.14 81.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.36 -0.836 . . . . 10.0 110.885 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -175.76 155.83 1.75 Allowed 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.791 -0.448 . . . . 10.0 109.791 -179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -78.33 175.52 10.17 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.769 -0.456 . . . . 10.0 109.769 179.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.99 -5.44 43.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.893 0.378 . . . . 10.0 111.51 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 174.3 7.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.377 -0.601 . . . . 10.0 109.377 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -103.55 101.99 11.87 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.227 1.013 . . . . 10.0 110.842 -178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.78 -18.56 34.43 Favored Glycine 0 C--N 1.316 -0.552 0 CA-C-N 114.98 -1.009 . . . . 10.0 113.829 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.4 t -78.72 72.07 5.22 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.891 0.7 . . . . 10.0 112.891 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 4' ' ' SER . 13.0 ptmt -91.65 51.17 1.82 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.981 0.895 . . . . 10.0 109.047 176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -82.64 49.48 1.48 Allowed 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.479 -1.237 . . . . 10.0 111.331 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -33.33 128.41 0.3 Allowed 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.59 1.181 . . . . 10.0 111.084 178.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.577 ' HB2' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -23.62 108.31 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.552 1.158 . . . . 10.0 113.33 -179.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB3' ' HD2' ' A' ' 18' ' ' LYS . 14.4 t0 -126.29 108.2 11.04 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.048 -1.093 . . . . 10.0 108.048 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.59 -25.48 38.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.598 -0.728 . . . . 10.0 111.801 -179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -31.0 66.79 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.18 0.514 . . . . 10.0 110.353 -179.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HD2' ' HB3' ' A' ' 15' ' ' ASP . 0.0 OUTLIER -93.69 147.73 34.11 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.27 -0.877 . . . . 10.0 109.362 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -86.95 76.99 2.17 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 121.911 1.741 . . . . 10.0 113.972 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.3 m -146.56 133.19 13.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 109.664 -0.495 . . . . 10.0 109.664 177.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.54 163.35 13.14 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 178.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -108.3 162.94 13.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.338 0.59 . . . . 10.0 110.833 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.649 ' HE1' ' N ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -157.65 177.17 11.69 Favored 'General case' 0 C--O 1.204 -1.333 0 CA-C-N 115.034 -0.985 . . . . 10.0 108.8 -179.263 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HB2' ' H73' ' B' ' 8' ' ' ' DT' . 2.5 mmmp? -115.07 166.37 11.89 Favored 'General case' 0 C--N 1.309 -1.193 0 N-CA-C 108.478 -0.934 . . . . 10.0 108.478 177.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.842 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -59.92 155.75 40.72 Favored Pre-proline 0 N--CA 1.474 0.767 0 CA-C-N 118.317 0.508 . . . . 10.0 111.238 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.457 ' HG2' ' HA ' ' A' ' 33' ' ' CYS . 57.8 Cg_endo -69.67 75.46 1.17 Allowed 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.002 2.468 . . . . 10.0 109.832 176.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 27' ' ' LEU . 21.7 mt -68.39 -22.77 64.61 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.412 -177.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.466 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 72.8 p -91.01 4.32 52.37 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 115.606 -0.724 . . . . 10.0 111.276 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.525 ' HD3' ' HA ' ' A' ' 74' ' ' GLU . 2.8 ttt180 -145.42 65.27 11.41 Favored Pre-proline 0 N--CA 1.446 -0.629 0 N-CA-C 108.318 -0.993 . . . . 10.0 108.318 178.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 Cg_endo -45.79 -53.05 6.09 Favored 'Trans proline' 0 C--O 1.217 -0.571 0 C-N-CA 123.956 3.104 . . . . 10.0 115.118 -177.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -49.02 -49.61 40.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.502 0.668 . . . . 10.0 109.571 179.66 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.516 ' CB ' ' HG2' ' A' ' 29' ' ' ARG . 1.0 OUTLIER -65.11 -36.61 84.83 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.138 -0.937 . . . . 10.0 109.121 178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.842 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 35.6 t -61.12 -35.2 76.41 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 122.518 1.151 . . . . 10.0 108.96 -179.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 31' ' ' SER . 3.6 tttm -67.8 -32.3 72.77 Favored 'General case' 0 N--CA 1.431 -1.385 0 CA-C-N 113.197 -1.82 . . . . 10.0 112.746 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 38' ' ' ALA . 1.9 pt-20 -72.95 -19.34 61.26 Favored 'General case' 0 CA--C 1.506 -0.726 0 C-N-CA 117.47 -1.692 . . . . 10.0 109.508 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.693 ' O ' HG23 ' A' ' 40' ' ' VAL . 13.5 m0 -63.38 -31.61 72.81 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.564 -1.273 . . . . 10.0 107.564 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -64.42 -33.15 75.19 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.655 -0.868 . . . . 10.0 108.655 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -62.41 -27.68 69.26 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.986 -179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' O ' ' HD2' ' A' ' 41' ' ' ARG . . . -86.74 -24.72 25.03 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.241 -0.651 . . . . 10.0 109.241 179.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.2 t -89.92 44.35 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.631 0.729 . . . . 10.0 109.071 178.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HD2' ' O ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -69.06 6.97 0.8 Allowed 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.062 -0.972 . . . . 10.0 112.799 -179.002 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -75.71 147.69 39.18 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.947 -0.39 . . . . 10.0 109.947 179.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.663 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -60.2 -37.46 80.32 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.475 -0.33 . . . . 10.0 111.239 -179.659 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.663 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 5.6 p-10 -92.84 65.08 4.11 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.979 0.418 . . . . 10.0 110.556 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.458 ' HD1' ' O ' ' A' ' 46' ' ' LYS . 8.9 t80 -55.68 120.93 8.05 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 115.299 -0.864 . . . . 10.0 109.601 178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.5 ' HG3' ' OP1' ' C' ' 20' ' ' ' DT' . 0.0 OUTLIER -70.3 -175.99 0.33 Allowed Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 115.329 -0.851 . . . . 10.0 111.633 -178.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' HA ' ' OP2' ' C' ' 21' ' ' ' DG' . 74.9 Cg_exo -49.01 162.29 0.43 Allowed 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 122.207 1.938 . . . . 10.0 114.177 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.502 HG21 ' OP2' ' C' ' 22' ' ' ' DC' . 21.2 p -79.6 -169.35 1.9 Allowed 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 113.728 -1.578 . . . . 10.0 113.658 -176.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.698 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -62.32 -7.52 4.46 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 113.659 -1.61 . . . . 10.0 112.995 -179.292 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.76 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 83.5 m-85 -83.01 -24.01 33.03 Favored 'General case' 0 N--CA 1.437 -1.091 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.97 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.16 170.98 14.97 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.483 178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.41 146.47 34.42 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-O 121.339 0.59 . . . . 10.0 111.68 -177.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.82 HD11 ' CD1' ' A' ' 25' ' ' PHE . 3.7 mp -112.38 164.35 8.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.321 -0.854 . . . . 10.0 109.487 -177.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.551 ' C ' ' HE1' ' A' ' 23' ' ' HIS . 27.2 p -115.6 157.47 24.1 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 118.552 0.615 . . . . 10.0 112.57 -178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.649 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 36.6 t -44.13 -61.01 1.62 Allowed 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 116.225 1.935 . . . . 10.0 116.225 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.73 -17.03 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.759 1.762 . . . . 10.0 115.759 -178.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.547 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 74.8 m-70 -85.99 -17.2 35.96 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 114.156 1.169 . . . . 10.0 114.156 -178.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.627 ' HE1' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -131.83 160.1 36.62 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 118.442 0.564 . . . . 10.0 109.777 179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 p -72.28 148.06 90.8 Favored Pre-proline 0 C--N 1.312 -1.058 0 CA-C-N 115.414 -0.812 . . . . 10.0 109.43 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -48.3 -36.43 29.84 Favored 'Trans proline' 0 C--N 1.328 -0.516 0 C-N-CA 123.119 2.546 . . . . 10.0 110.598 177.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -43.77 98.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.15 -0.932 . . . . 10.0 109.41 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.66 ' HA ' ' CD ' ' A' ' 73' ' ' LYS . 4.0 m -81.21 -0.93 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.541 -1.209 . . . . 10.0 112.957 -177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.61 ' HE1' ' HG ' ' A' ' 55' ' ' SER . 0.2 OUTLIER -36.22 -76.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 116.135 1.902 . . . . 10.0 116.135 -176.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HD3' ' OP1' ' B' ' 8' ' ' ' DT' . 3.2 ptpt -172.9 -137.61 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 113.251 0.834 . . . . 10.0 113.251 -176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HD2' " H4'" ' B' ' 7' ' ' ' DG' . 3.7 ptm180 -58.08 -18.26 23.6 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.978 0.911 . . . . 10.0 112.862 -178.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -75.84 5.9 5.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.649 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . 18.7 t -67.01 -112.95 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.181 -0.918 . . . . 10.0 111.832 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -99.48 -71.39 0.7 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 122.21 -0.306 . . . . 10.0 111.82 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.418 ' CG ' ' N ' ' A' ' 70' ' ' LYS . 4.8 p-10 -98.34 -65.5 0.96 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 120.395 -0.522 . . . . 10.0 112.068 -179.009 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.418 ' N ' ' CG ' ' A' ' 69' ' ' ASN . 24.9 mmtm -147.88 -2.33 0.55 Allowed 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.719 1.007 . . . . 10.0 113.719 -177.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.756 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -150.98 179.91 7.85 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 119.851 -0.739 . . . . 10.0 112.2 -179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.756 HD12 HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -65.69 -179.06 0.62 Allowed 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 122.334 1.064 . . . . 10.0 113.422 -177.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.66 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -78.86 120.79 23.98 Favored 'General case' 0 N--CA 1.44 -0.962 0 CA-C-N 113.499 -1.682 . . . . 10.0 108.187 179.342 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.525 ' HA ' ' HD3' ' A' ' 29' ' ' ARG . 4.8 tt0 -52.75 -25.83 12.39 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.804 -0.635 . . . . 10.0 112.379 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.29 19.69 20.16 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 73' ' ' LYS . . . -115.67 127.64 55.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.296 0.569 . . . . 10.0 112.104 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' O ' HG23 ' A' ' 79' ' ' THR . 1.4 p -138.33 138.5 22.8 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.816 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD2' HG23 ' A' ' 77' ' ' VAL . 8.9 Cg_endo -51.69 110.44 0.43 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 124.144 3.23 . . . . 10.0 113.187 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' VAL . 73.1 p -107.61 -16.09 14.43 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.771 0.796 . . . . 10.0 110.577 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.46 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.4 OUTLIER -78.06 7.47 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 114.587 -1.188 . . . . 10.0 111.558 -178.765 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' HA ' ' HD1' ' A' ' 57' ' ' HIS . 2.3 m-30 -42.58 -40.53 2.71 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.759 0.651 . . . . 10.0 112.759 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.47 HD23 ' O ' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -163.73 172.77 13.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.07 0.462 . . . . 10.0 110.895 179.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -74.76 -35.36 62.58 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.522 -0.763 . . . . 10.0 112.06 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.85 -42.68 94.7 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.639 -0.709 . . . . 10.0 111.627 -179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -73.5 119.58 76.64 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 10.0 110.781 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -62.17 146.71 95.92 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.124 2.55 . . . . 10.0 112.185 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 117.576 -1.202 . . . . 10.0 109.248 -179.511 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.789 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.668 0 O4'-C1'-C2' 106.933 0.757 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.789 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C1'-N19 108.738 1.172 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.852 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-N19 108.859 1.324 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.852 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 O3'-P-O5' 101.983 -1.062 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.755 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-N19 108.542 0.927 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.755 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-N19 108.716 1.146 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.937 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 109.024 1.529 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.937 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-N19 108.772 1.214 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.486 H2'' ' OP2' ' B' ' 10' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.419 -1.332 0 O4'-C1'-N19 109.087 1.608 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.538 " H2'" ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.42 -1.233 0 O4'-C1'-N19 109.475 2.094 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.555 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O3'-P-O5' 100.51 -1.837 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.555 ' C5 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O3'-P-O5' 102.351 -0.868 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.547 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.081 0 O4'-C1'-C2' 107.118 0.926 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.866 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.02 0.836 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.169 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-N19 109.573 2.216 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.169 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.45 2.323 2 N19-C1'-C2' 103.801 -6.499 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.654 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.315 -1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.83 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C1'-N19 108.728 1.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.912 " C2'" ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.073 0.884 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.912 ' H72' " C2'" ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.324 1.113 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.541 ' OP2' ' HA ' ' A' ' 47' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 107.054 0.867 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.76 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.42 -1.272 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.669 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 P-O5'-C5' 118.261 -1.649 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-N19 109.197 1.746 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.436 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 104.367 -1.233 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.582 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-N19 108.601 1.002 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.582 ' C8 ' H2'' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.281 1.074 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.638 H2'' ' C8 ' ' C' ' 29' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-N19 108.801 1.251 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.638 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-N19 108.828 1.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.478 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C4'-C3' 104.569 -1.031 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.581 H2'' ' C5 ' ' C' ' 32' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.935 0.759 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.581 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.921 0.747 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HA ' ' A' ' 51' ' ' SER . 1.7 mpt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.48 0.181 . . . . 10.0 110.574 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.605 HG22 ' C8 ' ' B' ' 10' ' ' ' DG' . 0.0 OUTLIER -135.55 22.63 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 N-CA-C 111.991 0.367 . . . . 10.0 111.991 -178.454 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.511 ' NE2' ' H73' ' C' ' 20' ' ' ' DT' . 26.0 mt-30 -62.11 -37.04 83.58 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.563 -0.455 . . . . 10.0 110.941 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -176.07 165.29 2.88 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.114 0.259 . . . . 10.0 111.259 177.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 165.48 24.05 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.498 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.484 ' OG ' ' HE1' ' A' ' 25' ' ' PHE . 1.2 m -72.73 4.65 3.81 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.96 -179.85 5.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.109 0.48 . . . . 10.0 111.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -104.75 92.41 4.26 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.146 -0.479 . . . . 10.0 111.106 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.22 1.21 55.82 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.453 -0.88 . . . . 10.0 114.34 177.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.53 72.32 9.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.639 0.72 . . . . 10.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -82.15 41.82 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.406 0.622 . . . . 10.0 110.119 178.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -85.59 48.45 1.59 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.31 -0.859 . . . . 10.0 111.63 -178.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' N ' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -42.05 133.04 3.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.255 -0.884 . . . . 10.0 109.826 178.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -20.74 107.31 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 O-C-N 124.863 1.352 . . . . 10.0 113.712 -179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -130.5 107.33 9.14 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 108.088 -1.079 . . . . 10.0 108.088 177.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -21.4 36.34 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.029 -0.987 . . . . 10.0 111.782 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.29 -30.69 66.57 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.366 0.603 . . . . 10.0 110.251 -179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' HG3' HG13 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -95.43 149.78 36.62 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 114.99 -1.005 . . . . 10.0 109.733 -179.796 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -85.31 77.16 2.88 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.052 1.835 . . . . 10.0 113.995 -178.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG13 ' HG3' ' A' ' 18' ' ' LYS . 4.3 m -147.37 149.75 15.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 116.357 -0.383 . . . . 10.0 110.103 177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.482 ' O ' ' HA ' ' A' ' 54' ' ' CYS . 1.7 p -124.3 159.11 31.01 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.136 -0.69 . . . . 10.0 109.136 178.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.564 ' HB2' ' CE2' ' A' ' 14' ' ' TYR . 5.8 m-85 -109.02 145.26 35.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.8 0.81 . . . . 10.0 111.415 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.705 ' CE1' ' HE2' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -143.84 178.0 8.13 Favored 'General case' 0 C--O 1.194 -1.821 0 CA-C-N 114.187 -1.369 . . . . 10.0 109.367 -178.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.535 ' HE3' ' O ' ' A' ' 50' ' ' TYR . 16.0 mttp -113.37 167.2 10.77 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 118.689 0.677 . . . . 10.0 110.339 178.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.823 ' HD2' ' HG ' ' A' ' 33' ' ' CYS . 1.4 m-85 -58.27 156.59 20.69 Favored Pre-proline 0 N--CA 1.47 0.528 0 CA-C-O 120.671 0.272 . . . . 10.0 110.829 179.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.597 ' HB3' HD13 ' A' ' 72' ' ' LEU . 71.2 Cg_endo -71.08 74.66 1.86 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.7 2.266 . . . . 10.0 109.968 177.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD21 ' HB2' ' A' ' 49' ' ' LYS . 23.5 mt -67.8 -24.34 65.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.47 0.652 . . . . 10.0 110.998 -177.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 HG21 " H3'" ' B' ' 6' ' ' ' DT' . 44.4 p -94.24 12.45 26.72 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.317 -0.856 . . . . 10.0 110.104 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.524 ' HB3' ' HB3' ' A' ' 32' ' ' LEU . 0.0 OUTLIER -144.7 60.8 7.76 Favored Pre-proline 0 C--O 1.222 -0.37 0 N-CA-C 108.205 -1.035 . . . . 10.0 108.205 178.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 5.4 Cg_endo -47.35 -57.59 2.23 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.887 3.058 . . . . 10.0 116.19 -176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -50.31 -48.6 55.15 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.458 0.647 . . . . 10.0 109.318 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 29' ' ' ARG . 1.2 tm? -64.78 -35.53 81.39 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.767 -1.106 . . . . 10.0 109.026 178.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.823 ' HG ' ' HD2' ' A' ' 25' ' ' PHE . 49.8 t -61.61 -36.68 81.42 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 122.74 1.257 . . . . 10.0 109.042 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' SER . 1.2 tttt -68.96 -30.41 68.83 Favored 'General case' 0 N--CA 1.428 -1.568 0 CA-C-N 112.766 -2.016 . . . . 10.0 112.701 -177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 1.4 pt-20 -73.97 -19.02 60.79 Favored 'General case' 0 CA--C 1.507 -0.703 0 C-N-CA 117.644 -1.622 . . . . 10.0 109.502 -179.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.641 ' O ' HG23 ' A' ' 40' ' ' VAL . 14.4 m0 -62.9 -31.13 72.12 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 107.637 -1.246 . . . . 10.0 107.637 178.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.44 -34.97 79.53 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.614 -0.884 . . . . 10.0 108.614 178.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.408 ' HB3' ' O ' ' A' ' 35' ' ' GLU . . . -64.53 -22.73 67.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.874 -1.057 . . . . 10.0 110.668 -179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.32 -25.3 23.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.382 0.61 . . . . 10.0 109.568 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 36' ' ' TRP . 2.1 t -88.61 50.65 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 122.374 1.083 . . . . 10.0 108.753 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.78 14.45 0.03 OUTLIER 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.688 -1.596 . . . . 10.0 114.07 -178.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -105.42 156.37 18.25 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 121.89 -0.506 . . . . 10.0 111.444 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -65.19 -32.79 74.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.903 -0.589 . . . . 10.0 111.266 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.608 ' N ' ' HG2' ' A' ' 43' ' ' LYS . 10.3 p30 -87.81 51.42 2.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.368 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -52.57 116.6 2.37 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.241 -0.89 . . . . 10.0 109.165 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 6' ' ' SER . 0.0 OUTLIER -69.72 178.84 0.89 Allowed Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.579 -0.737 . . . . 10.0 110.506 -179.325 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.487 ' HB2' ' CB ' ' A' ' 51' ' ' SER . 52.6 Cg_exo -48.61 157.26 1.52 Allowed 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.018 1.812 . . . . 10.0 113.792 -177.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.474 HG23 " H2'" ' C' ' 21' ' ' ' DG' . 20.3 p -79.94 -166.26 0.98 Allowed 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 114.039 -1.437 . . . . 10.0 113.956 -175.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.591 ' HA ' ' CD1' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -59.27 -12.76 6.01 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 113.94 -1.482 . . . . 10.0 113.016 -179.574 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.713 ' HB2' ' C5 ' ' C' ' 22' ' ' ' DC' . 91.7 m-85 -81.38 -16.85 50.98 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 118.941 -1.104 . . . . 10.0 108.972 178.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.615 ' HA ' ' HB3' ' A' ' 1' ' ' MET . 1.7 m -87.98 171.49 10.27 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 108.956 -0.757 . . . . 10.0 108.956 177.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.55 150.51 28.07 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.512 0.672 . . . . 10.0 112.166 -177.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.819 HD11 ' CD1' ' A' ' 25' ' ' PHE . 4.3 mp -114.48 165.83 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 115.236 -0.893 . . . . 10.0 109.226 -177.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 21' ' ' SER . 6.1 p -116.86 155.78 28.45 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.759 -0.588 . . . . 10.0 112.291 -177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.59 ' N ' ' HE1' ' A' ' 23' ' ' HIS . 23.8 p -40.04 -64.3 0.51 Allowed 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 115.615 1.709 . . . . 10.0 115.615 -175.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -33.11 -23.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 115.943 1.831 . . . . 10.0 115.943 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.451 ' HD1' ' HA ' ' A' ' 81' ' ' PHE . 75.8 m-70 -84.18 -16.58 42.91 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 114.06 1.133 . . . . 10.0 114.06 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.705 ' HE2' ' CE1' ' A' ' 23' ' ' HIS . 0.0 OUTLIER -130.22 170.99 13.37 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 118.752 0.705 . . . . 10.0 111.057 -179.763 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -82.18 144.82 51.27 Favored Pre-proline 0 N--CA 1.435 -1.196 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.259 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.629 ' HA ' ' CD2' ' A' ' 63' ' ' PHE . 6.3 Cg_endo -47.68 -36.91 26.47 Favored 'Trans proline' 0 C--N 1.329 -0.497 0 C-N-CA 123.288 2.659 . . . . 10.0 111.35 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -60.74 -41.69 95.89 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.118 -0.947 . . . . 10.0 111.0 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.579 ' O ' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.15 0.78 57.46 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.463 -0.789 . . . . 10.0 112.357 -177.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.629 ' CD2' ' HA ' ' A' ' 60' ' ' PRO . 0.1 OUTLIER -31.72 -76.92 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 115.697 1.739 . . . . 10.0 115.697 -176.581 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -158.43 -122.07 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.868 0 CA-C-N 118.33 0.514 . . . . 10.0 112.217 -177.347 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' H ' ' HG2' ' A' ' 65' ' ' ARG . 0.1 OUTLIER -76.17 -20.76 57.26 Favored 'General case' 0 C--N 1.346 0.418 0 N-CA-C 111.896 0.332 . . . . 10.0 111.896 -178.586 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE1' ' HE3' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -83.22 6.76 18.35 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HB3' ' O ' ' A' ' 64' ' ' LYS . 3.6 t -66.3 -101.41 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 115.281 -0.872 . . . . 10.0 111.534 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -101.11 -69.41 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.94 0.4 . . . . 10.0 111.754 -179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -110.23 -62.95 1.44 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.264 -0.425 . . . . 10.0 111.076 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 2.0 tppp? -146.37 -4.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.63 -0.259 . . . . 10.0 110.715 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD12 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -145.09 176.0 9.83 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.332 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.872 HD12 HD13 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -59.55 175.49 0.34 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 122.012 0.91 . . . . 10.0 113.27 -178.232 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -75.15 114.45 13.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.302 -1.317 . . . . 10.0 108.704 178.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.428 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . 28.3 tt0 -50.13 -34.09 21.01 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -97.56 20.26 12.09 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 120.995 0.426 . . . . 10.0 111.72 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.5 ' O ' HD21 ' A' ' 32' ' ' LEU . . . -122.71 128.01 49.99 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 121.689 0.757 . . . . 10.0 111.611 -179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.417 HG23 ' HD2' ' A' ' 78' ' ' PRO . 0.6 OUTLIER -134.99 137.94 28.32 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-N 114.809 -1.087 . . . . 10.0 109.526 179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.605 ' HB2' ' CE1' ' A' ' 81' ' ' PHE . 9.6 Cg_endo -50.75 99.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.377 3.385 . . . . 10.0 113.982 -179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.9 t -102.27 -14.28 17.03 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.716 179.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.462 ' H ' HG12 ' A' ' 80' ' ' ILE . 0.6 OUTLIER -74.97 6.48 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.822 -179.226 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.605 ' CE1' ' HB2' ' A' ' 78' ' ' PRO . 7.2 m-30 -44.81 -46.07 10.45 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 112.432 0.53 . . . . 10.0 112.432 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 tp -173.37 170.76 4.15 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.756 0.312 . . . . 10.0 111.163 -179.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -70.75 -54.16 12.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.489 178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -168.75 -61.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.046 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.49 144.95 53.11 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.811 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -64.43 158.4 49.55 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.291 1.994 . . . . 10.0 112.192 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.2 ptp85 . . . . . 0 C--O 1.243 0.753 0 CA-C-O 118.421 -0.8 . . . . 10.0 110.316 -179.31 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.789 H2'' ' C5 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O4'-C1'-C2' 106.986 0.806 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.789 ' C5 ' H2'' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-N19 108.683 1.104 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.799 H2'' ' H71' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 O4'-C1'-N19 109.149 1.686 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.799 ' H71' H2'' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 O4'-C1'-N19 108.681 1.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.77 H2'' ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C1'-N19 108.601 1.001 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.77 ' H71' H2'' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-N19 109.045 1.556 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.79 " H2'" ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 O4'-C1'-N19 109.005 1.507 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.79 ' H72' " H2'" ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-N19 109.056 1.57 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . 0.415 ' O6 ' ' HE2' ' A' ' 24' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.008 0.826 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DG' . . . . . 0.605 ' C8 ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-N19 109.178 1.723 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.514 H2'' ' C5 ' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.161 0 O3'-P-O5' 100.801 -1.684 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DC' . . . . . 0.676 H2'' ' C8 ' ' B' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C2'-C3'-O3' 113.548 1.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DA' . . . . . 0.676 ' C8 ' H2'' ' B' ' 12' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-C2' 107.067 0.879 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.807 H2'' ' C5 ' ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 106.976 0.796 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' ' DC' . . . . . 1.197 " H1'" ' N7 ' ' B' ' 16' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.443 0.911 0 O4'-C1'-N19 109.771 2.464 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ' DG' . . . . . 1.197 ' N7 ' " H1'" ' B' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.451 2.368 2 N19-C1'-C2' 103.375 -6.766 . . . . 10.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.582 H2'' ' C8 ' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-N19 108.813 1.266 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DG' . . . . . 0.865 H2'' ' C5 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-N19 108.856 1.32 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.865 ' C5 ' H2'' ' C' ' 18' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 N19-C1'-C2' 115.644 0.902 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.546 ' C6 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 107.257 1.052 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.474 " H2'" HG23 ' A' ' 48' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 107.16 0.964 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.713 ' C5 ' ' HB2' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C1'-N19 109.046 1.558 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.619 ' H5 ' ' CD1' ' A' ' 50' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-N19 108.946 1.432 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DC' . . . . . 0.416 H2'' ' OP2' ' C' ' 25' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C1'-N19 109.248 1.81 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 26' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-N19 108.975 1.469 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . 0.574 H2'' ' C8 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O3'-P-O5' 101.562 -1.283 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.687 H2'' ' C5 ' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.086 0.896 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ' DC' . . . . . 0.687 ' C5 ' H2'' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.192 0.993 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ' DA' . . . . . 0.556 ' C8 ' H2'' ' C' ' 28' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C1'-N19 108.645 1.057 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ' DA' . . . . . 0.588 H2'' ' C8 ' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.109 0.918 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ' DG' . . . . . 0.588 ' C8 ' H2'' ' C' ' 30' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C4'-C3' 104.666 -0.934 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ' DC' . . . . . 0.526 ' C5 ' H2'' ' C' ' 31' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.04 0.854 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_