data_1dpq_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 1dpq _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.282 0.563 . . . . 2.2 109.624 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.49 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 3.59 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 10' ' ' ALA . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.59 109.117 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.96 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 1.18 108.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 1.05 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.8 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.34 0.591 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 1.1 m120 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.708 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.1 tm-20 . . . . . 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.405 0.621 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.709 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 . . . . . 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.461 0.648 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 . . . . . 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.345 0.593 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.8 OUTLIER -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.265 0.555 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m120 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.422 0.629 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.616 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.326 0.584 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 . . . . . 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.322 0.582 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' ALA . 72.9 m-80 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.343 0.592 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.717 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.717 ' HB3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' VAL . 60.8 mttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.459 -0.571 . . . . 3.11 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.496 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.4 p 34.33 47.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.591 -0.693 . . . . 1.56 110.037 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.3 -43.48 6.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.61 -1.396 . . . . 0.52 109.61 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 10.1 m-85 -45.54 -49.84 13.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -1.163 . . . . 0.9 109.612 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -45.44 -45.56 12.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.861 . . . . 2.2 109.624 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.49 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 3.59 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' C ' ' H ' ' A' ' 10' ' ' ALA . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.59 109.117 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.96 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 1.18 108.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 1.05 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.8 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 51.71 25.2 2.75 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -44.75 -25.83 0.33 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.712 -0.618 . . . . 2.28 109.515 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' A' ' 17' ' ' GLU . 37.0 t70 -68.2 53.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 2.8 109.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -69.77 38.53 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.275 -0.891 . . . . 4.35 109.411 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 15' ' ' ASP . 12.4 tm-20 -49.03 -47.46 44.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 4.73 108.808 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -83.47 -26.06 30.59 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.332 -0.855 . . . . 7.31 109.256 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -6.07 62.11 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.448 -1.461 . . . . 7.18 109.448 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.293 -1.122 . . . . 8.37 109.488 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 2' ' ' VAL . 21.0 pttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.3 p 34.38 46.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.02 -19.94 34.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 8.9 m-85 -45.48 -49.97 13.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -1.184 . . . . 0.0 109.65 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.34 -47.35 18.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.899 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 1.1 m120 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 53.19 23.04 2.9 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.2 tm-20 -46.29 -23.66 0.38 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.327 0.585 . . . . 0.0 109.612 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.1 t70 -68.1 50.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 20' ' ' GLU . 8.5 t70 -70.08 37.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.442 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 15' ' ' ASP . 22.8 tp10 -59.85 -42.93 94.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 108.864 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -82.06 -28.03 32.63 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -57.76 3.07 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 16' ' ' ASP . 49.8 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.321 -1.105 . . . . 0.0 109.513 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.566 ' O ' ' C ' ' A' ' 2' ' ' VAL . 29.3 pttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.566 ' C ' ' O ' ' A' ' 1' ' ' LYS . 5.4 p 23.22 48.49 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 CA-C-O 121.446 0.641 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -86.29 -35.19 11.05 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 9.0 m-85 -46.26 -47.72 18.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -1.135 . . . . 0.0 109.591 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.15 -46.51 17.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.539 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.708 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.517 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.487 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' CG ' ' O ' ' A' ' 13' ' ' GLU . 4.1 tm-20 53.79 25.02 4.8 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.7 mt-10 -54.88 -38.21 67.25 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.779 -0.576 . . . . 0.0 109.497 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.55 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 -67.14 60.31 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 109.565 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.84 36.79 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.302 -0.874 . . . . 0.0 109.393 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.3 tp10 -50.34 -49.97 52.43 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -26.32 31.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.395 -0.815 . . . . 0.0 109.144 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.24 -55.73 4.62 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' ASP . 25.0 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.155 -1.203 . . . . 0.0 109.517 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 1' ' ' LYS . 10.7 mptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.493 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.3 p 34.21 46.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 CA-C-O 121.525 0.678 . . . . 0.0 110.12 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.6 -43.12 5.89 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -45.59 -53.75 8.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -1.067 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.98 -46.12 10.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.451 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.709 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 53.17 22.69 2.72 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.5 tm-20 -45.96 -21.79 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.828 -0.545 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.557 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.3 t0 -66.18 60.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.5 37.92 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.274 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 15' ' ' ASP . 4.1 tm-20 -47.19 -46.31 23.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.278 -0.889 . . . . 0.0 108.986 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.57 -25.67 28.52 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.319 -0.863 . . . . 0.0 109.091 179.638 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.69 -38.74 83.98 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.125 -1.221 . . . . 0.0 109.53 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.596 ' O ' ' C ' ' A' ' 2' ' ' VAL . 75.1 mttt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.596 ' C ' ' O ' ' A' ' 1' ' ' LYS . 6.5 p 22.0 51.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 121.427 0.632 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -133.04 -33.06 0.38 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -46.86 -42.04 16.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -1.134 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -46.21 -43.35 15.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.534 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.534 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.567 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 51.97 24.9 2.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -44.92 -61.3 1.66 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.693 -0.63 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.552 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 45.23 51.77 9.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.871 . . . . 0.0 109.624 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' OD1' ' O ' ' A' ' 16' ' ' ASP . 13.7 t70 -70.32 38.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.8 mt-10 -60.16 -50.2 74.62 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 108.872 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.59 -20.75 25.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.393 -0.817 . . . . 0.0 109.338 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.36 -2.91 36.39 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.265 -1.138 . . . . 0.0 109.473 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.519 ' N ' ' CD ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.4 p 34.21 47.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.609 -0.682 . . . . 0.0 110.094 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.69 -40.14 9.11 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -46.1 -55.64 6.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -1.132 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -46.73 -47.18 20.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.53 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.8 OUTLIER -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.701 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.701 ' HB3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 78.37 37.19 0.19 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -41.24 -50.22 3.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.709 -0.62 . . . . 0.0 109.816 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.9 t70 45.49 52.11 9.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.513 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.48 39.24 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.208 -0.933 . . . . 0.0 109.4 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' A' ' 15' ' ' ASP . 26.3 tt0 -47.55 -39.56 16.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.853 . . . . 0.0 109.074 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.404 ' C ' ' H ' ' A' ' 20' ' ' GLU . 39.9 tt0 -89.95 -26.48 20.38 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.435 -0.791 . . . . 0.0 109.258 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.77 32.47 2.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.404 ' H ' ' C ' ' A' ' 18' ' ' GLU . 13.5 pt-20 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.269 -1.136 . . . . 0.0 109.385 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 2' ' ' VAL . 89.5 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.504 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.5 p 33.99 47.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.73 -35.27 6.52 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 6.1 m-85 -46.41 -46.26 18.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -1.177 . . . . 0.0 109.554 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -46.42 -46.74 18.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.559 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m120 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 52.15 24.81 2.92 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -46.03 -71.12 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.662 -0.649 . . . . 0.0 109.562 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.562 ' C ' ' H ' ' A' ' 17' ' ' GLU . 32.4 t70 -65.62 67.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 109.536 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.67 36.01 0.06 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.275 -0.89 . . . . 0.0 109.293 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 15' ' ' ASP . 2.3 tm-20 -47.93 -47.37 32.47 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.451 -0.781 . . . . 0.0 108.978 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -84.35 -25.04 29.47 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.445 -0.785 . . . . 0.0 109.129 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -67.08 -13.52 62.15 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 35.7 mt-10 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.31 -1.112 . . . . 0.0 109.49 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.578 ' O ' ' C ' ' A' ' 2' ' ' VAL . 57.1 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.578 ' C ' ' O ' ' A' ' 1' ' ' LYS . 5.7 p 23.14 48.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.458 0.647 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -92.1 -37.44 5.99 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 10.8 m-85 -46.84 -52.97 13.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -1.11 . . . . 0.0 109.536 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -46.41 -48.11 18.81 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.605 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.616 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 54.26 23.72 4.5 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.1 tm-20 -53.58 -21.24 6.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.814 -0.554 . . . . 0.0 109.609 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.2 t70 -66.51 50.83 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.903 . . . . 0.0 109.685 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.71 39.87 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.264 -0.898 . . . . 0.0 109.37 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 15' ' ' ASP . 6.7 tm-20 -46.1 -47.56 17.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.886 . . . . 0.0 108.983 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -87.09 -23.76 24.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.422 -0.799 . . . . 0.0 109.334 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.12 4.53 17.38 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.311 -1.111 . . . . 0.0 109.436 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.567 ' C ' ' O ' ' A' ' 1' ' ' LYS . 5.6 p 22.88 48.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 121.442 0.639 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -94.45 -26.61 13.23 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 4.5 m-85 -46.31 -43.49 15.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -1.124 . . . . 0.0 109.684 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -46.83 -46.36 20.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.532 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 51.28 25.31 2.44 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.15 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.724 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.561 ' C ' ' H ' ' A' ' 17' ' ' GLU . 39.2 t0 -99.5 93.97 6.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.411 -0.806 . . . . 0.0 109.775 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 16' ' ' ASP . 18.1 t70 -73.93 28.3 0.07 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.32 -0.863 . . . . 0.0 109.18 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.561 ' H ' ' C ' ' A' ' 15' ' ' ASP . 49.9 tt0 -54.56 -50.65 67.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.502 -0.749 . . . . 0.0 108.986 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' A' ' 20' ' ' GLU . 32.0 tt0 -79.63 -28.3 40.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.271 -0.893 . . . . 0.0 109.373 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.32 7.56 2.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 18' ' ' GLU . 32.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.246 -1.15 . . . . 0.0 109.473 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 2' ' ' VAL . 39.7 mmtm . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.5 p 34.02 47.76 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.519 0.676 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.38 -41.02 8.1 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -46.06 -49.51 16.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -1.125 . . . . 0.0 109.644 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -46.0 -43.19 14.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 10' ' ' ALA . 72.9 m-80 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 52.22 24.86 3.01 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.41 -40.42 8.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.709 -0.619 . . . . 0.0 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.1 t0 45.68 71.44 0.28 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 0.0 109.62 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 19' ' ' GLY . 13.0 t70 -142.77 31.14 1.45 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.454 -0.779 . . . . 0.0 108.952 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -56.84 -36.59 70.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.17 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -92.71 -27.66 17.12 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.361 -0.837 . . . . 0.0 109.31 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -73.25 32.84 0.79 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 18' ' ' GLU . 11.1 mm-40 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.179 -1.189 . . . . 0.0 109.487 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 2' ' ' VAL . 90.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.507 ' C ' ' O ' ' A' ' 1' ' ' LYS . 7.4 p 34.25 47.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.12 -27.78 27.35 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -46.34 -52.7 12.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.323 -1.104 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -46.92 -44.89 20.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.717 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.717 ' HB3' ' O ' ' A' ' 11' ' ' ALA . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 80.8 36.54 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -43.25 -61.85 1.22 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.673 -0.642 . . . . 0.0 109.678 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.6 t70 45.44 52.26 9.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 38.98 0.07 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.282 -0.886 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.525 ' H ' ' C ' ' A' ' 15' ' ' ASP . 59.3 tt0 -48.58 -39.74 24.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.172 -0.955 . . . . 0.0 109.041 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.2 -27.61 19.43 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.386 -0.822 . . . . 0.0 109.279 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.77 47.66 1.23 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.282 0.563 . . . . 1.3600000000000001 109.624 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.02 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 2.8500000000000001 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.46 109.117 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.54 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 0.37 108.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 0.51000000000000001 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.27 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.34 0.591 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.2 m-20 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.73 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.1 tm-20 . . . . . 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.405 0.621 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.731 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 . . . . . 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.461 0.648 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 . . . . . 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.345 0.593 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 10' ' ' ALA . 2.2 m-20 -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.265 0.555 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.4 m-20 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.422 0.629 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.3 m-20 -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.326 0.584 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 . . . . . 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.322 0.582 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.343 0.592 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 6' ' ' LYS . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' VAL . 60.8 mttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.459 -0.571 . . . . 2.6800000000000002 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.33 47.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.591 -0.693 . . . . 0.91000000000000003 110.037 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.3 -43.48 6.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.61 -1.396 . . . . 0.39000000000000001 109.61 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -45.54 -49.84 13.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -1.163 . . . . 0.76000000000000001 109.612 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -45.44 -45.56 12.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.861 . . . . 1.3600000000000001 109.624 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.02 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 2.8500000000000001 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.46 109.117 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.54 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 0.37 108.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 0.51000000000000001 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.27 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 51.71 25.2 2.75 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -44.75 -25.83 0.33 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.712 -0.618 . . . . 2.2799999999999998 109.515 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLU . 37.0 t70 -68.2 53.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 2.7999999999999998 109.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -69.77 38.53 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.275 -0.891 . . . . 4.3499999999999996 109.411 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' ASP . 12.4 tm-20 -49.03 -47.46 44.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 4.7300000000000004 108.808 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -83.47 -26.06 30.59 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.332 -0.855 . . . . 7.3099999999999996 109.256 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -6.07 62.11 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.448 -1.461 . . . . 7.1799999999999997 109.448 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.293 -1.122 . . . . 8.3699999999999992 109.488 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 2' ' ' VAL . 21.0 pttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.3 p 34.38 46.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.02 -19.94 34.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -45.48 -49.97 13.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -1.184 . . . . 0.0 109.65 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.34 -47.35 18.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.899 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.2 m-20 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 53.19 23.04 2.9 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.2 tm-20 -46.29 -23.66 0.38 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.327 0.585 . . . . 0.0 109.612 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.1 t70 -68.1 50.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 20' ' ' GLU . 8.5 t70 -70.08 37.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.442 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 15' ' ' ASP . 22.8 tp10 -59.85 -42.93 94.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 108.864 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -82.06 -28.03 32.63 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -57.76 3.07 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 16' ' ' ASP . 49.8 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.321 -1.105 . . . . 0.0 109.513 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.566 ' O ' ' C ' ' A' ' 2' ' ' VAL . 29.3 pttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 2' ' ' VAL . 5.4 p 23.22 48.49 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 CA-C-O 121.446 0.641 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -86.29 -35.19 11.05 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -46.26 -47.72 18.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -1.135 . . . . 0.0 109.591 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.15 -46.51 17.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.73 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.1 tm-20 53.79 25.02 4.8 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.7 mt-10 -54.88 -38.21 67.25 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.779 -0.576 . . . . 0.0 109.497 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 -67.14 60.31 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 109.565 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.84 36.79 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.302 -0.874 . . . . 0.0 109.393 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.3 tp10 -50.34 -49.97 52.43 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -26.32 31.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.395 -0.815 . . . . 0.0 109.144 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.24 -55.73 4.62 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' ASP . 25.0 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.155 -1.203 . . . . 0.0 109.517 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 1' ' ' LYS . 10.7 mptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.3 p 34.21 46.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 CA-C-O 121.525 0.678 . . . . 0.0 110.12 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.6 -43.12 5.89 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -45.59 -53.75 8.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -1.067 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.98 -46.12 10.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.731 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 53.17 22.69 2.72 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.5 tm-20 -45.96 -21.79 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.828 -0.545 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.3 t0 -66.18 60.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.5 37.92 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.274 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 15' ' ' ASP . 4.1 tm-20 -47.19 -46.31 23.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.278 -0.889 . . . . 0.0 108.986 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.57 -25.67 28.52 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.319 -0.863 . . . . 0.0 109.091 179.638 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.69 -38.74 83.98 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.125 -1.221 . . . . 0.0 109.53 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.596 ' O ' ' C ' ' A' ' 2' ' ' VAL . 75.1 mttt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.727 ' O ' HG13 ' A' ' 2' ' ' VAL . 6.5 p 22.0 51.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 121.427 0.632 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -133.04 -33.06 0.38 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -46.86 -42.04 16.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -1.134 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -46.21 -43.35 15.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 51.97 24.9 2.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -44.92 -61.3 1.66 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.693 -0.63 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 45.23 51.77 9.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.871 . . . . 0.0 109.624 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 13.7 t70 -70.32 38.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.8 mt-10 -60.16 -50.2 74.62 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 108.872 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.59 -20.75 25.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.393 -0.817 . . . . 0.0 109.338 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.36 -2.91 36.39 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.265 -1.138 . . . . 0.0 109.473 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.21 47.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.609 -0.682 . . . . 0.0 110.094 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.69 -40.14 9.11 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -46.1 -55.64 6.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -1.132 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -46.73 -47.18 20.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.53 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.485 ' C ' ' H ' ' A' ' 10' ' ' ALA . 2.2 m-20 -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 78.37 37.19 0.19 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -41.24 -50.22 3.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.709 -0.62 . . . . 0.0 109.816 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.9 t70 45.49 52.11 9.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.513 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.48 39.24 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.208 -0.933 . . . . 0.0 109.4 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 15' ' ' ASP . 26.3 tt0 -47.55 -39.56 16.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.853 . . . . 0.0 109.074 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -89.95 -26.48 20.38 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.435 -0.791 . . . . 0.0 109.258 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.77 32.47 2.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.269 -1.136 . . . . 0.0 109.385 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 2' ' ' VAL . 89.5 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.5 p 33.99 47.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.73 -35.27 6.52 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -46.41 -46.26 18.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -1.177 . . . . 0.0 109.554 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -46.42 -46.74 18.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.559 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.477 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.4 m-20 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 52.15 24.81 2.92 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -46.03 -71.12 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.662 -0.649 . . . . 0.0 109.562 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 17' ' ' GLU . 32.4 t70 -65.62 67.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 109.536 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.67 36.01 0.06 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.275 -0.89 . . . . 0.0 109.293 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 15' ' ' ASP . 2.3 tm-20 -47.93 -47.37 32.47 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.451 -0.781 . . . . 0.0 108.978 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.35 -25.04 29.47 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.445 -0.785 . . . . 0.0 109.129 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -67.08 -13.52 62.15 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 35.7 mt-10 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.31 -1.112 . . . . 0.0 109.49 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.578 ' O ' ' C ' ' A' ' 2' ' ' VAL . 57.1 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.7 p 23.14 48.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.458 0.647 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -92.1 -37.44 5.99 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -46.84 -52.97 13.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -1.11 . . . . 0.0 109.536 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -46.41 -48.11 18.81 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.605 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.3 m-20 -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 54.26 23.72 4.5 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.1 tm-20 -53.58 -21.24 6.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.814 -0.554 . . . . 0.0 109.609 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.2 t70 -66.51 50.83 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.903 . . . . 0.0 109.685 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.71 39.87 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.264 -0.898 . . . . 0.0 109.37 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 15' ' ' ASP . 6.7 tm-20 -46.1 -47.56 17.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.886 . . . . 0.0 108.983 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -87.09 -23.76 24.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.422 -0.799 . . . . 0.0 109.334 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.12 4.53 17.38 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.311 -1.111 . . . . 0.0 109.436 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.6 p 22.88 48.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 121.442 0.639 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -94.45 -26.61 13.23 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.31 -43.49 15.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -1.124 . . . . 0.0 109.684 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -46.83 -46.36 20.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 51.28 25.31 2.44 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.15 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.724 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 17' ' ' GLU . 39.2 t0 -99.5 93.97 6.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.411 -0.806 . . . . 0.0 109.775 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 18.1 t70 -73.93 28.3 0.07 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.32 -0.863 . . . . 0.0 109.18 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 15' ' ' ASP . 49.9 tt0 -54.56 -50.65 67.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.502 -0.749 . . . . 0.0 108.986 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' GLU . 32.0 tt0 -79.63 -28.3 40.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.271 -0.893 . . . . 0.0 109.373 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.32 7.56 2.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 32.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.246 -1.15 . . . . 0.0 109.473 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 2' ' ' VAL . 39.7 mmtm . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.698 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.5 p 34.02 47.76 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.519 0.676 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.38 -41.02 8.1 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -46.06 -49.51 16.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -1.125 . . . . 0.0 109.644 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -46.0 -43.19 14.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 52.22 24.86 3.01 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.41 -40.42 8.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.709 -0.619 . . . . 0.0 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.1 t0 45.68 71.44 0.28 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 0.0 109.62 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 19' ' ' GLY . 13.0 t70 -142.77 31.14 1.45 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.454 -0.779 . . . . 0.0 108.952 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -56.84 -36.59 70.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.17 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -92.71 -27.66 17.12 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.361 -0.837 . . . . 0.0 109.31 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -73.25 32.84 0.79 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 18' ' ' GLU . 11.1 mm-40 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.179 -1.189 . . . . 0.0 109.487 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 2' ' ' VAL . 90.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.705 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.25 47.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.12 -27.78 27.35 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -46.34 -52.7 12.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.323 -1.104 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -46.92 -44.89 20.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 6' ' ' LYS . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 80.8 36.54 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -43.25 -61.85 1.22 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.673 -0.642 . . . . 0.0 109.678 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.6 t70 45.44 52.26 9.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 38.98 0.07 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.282 -0.886 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 15' ' ' ASP . 59.3 tt0 -48.58 -39.74 24.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.172 -0.955 . . . . 0.0 109.041 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.2 -27.61 19.43 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.386 -0.822 . . . . 0.0 109.279 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.77 47.66 1.23 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.489 1.524 0 CA-C-O 121.282 0.563 . . . . 1.3600000000000001 109.624 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.02 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 2.8500000000000001 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.46 109.117 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.54 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 0.37 108.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 0.51000000000000001 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.27 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.34 0.591 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 1.1 m120 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.367 0.603 . . . . 0.0 109.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.542 ' HG2' ' NH1' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.73 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.1 tm-20 . . . . . 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.405 0.621 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.731 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 . . . . . 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.461 0.648 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 . . . . . 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 121.345 0.593 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.676 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.956 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.265 0.555 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 8' ' ' ASN . 1.2 m120 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 . . . . . 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.422 0.629 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.616 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 . . . . . 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 121.326 0.584 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 . . . . . 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.322 0.582 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 . . . . . 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.343 0.592 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 6' ' ' LYS . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 . . . . . 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 2' ' ' VAL . 60.8 mttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.459 -0.571 . . . . 2.6800000000000002 109.459 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.33 47.38 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 121.591 -0.693 . . . . 0.91000000000000003 110.037 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.3 -43.48 6.22 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.61 -1.396 . . . . 0.39000000000000001 109.61 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -45.54 -49.84 13.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.223 -1.163 . . . . 0.76000000000000001 109.612 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -45.44 -45.56 12.99 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.323 -0.861 . . . . 1.3600000000000001 109.624 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -75.8 -49.43 18.09 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.376 -0.828 . . . . 2.02 109.619 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -48.93 -21.79 0.73 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.104 -0.998 . . . . 2.8500000000000001 109.071 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -80.8 -62.41 1.68 Allowed 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.474 -0.766 . . . . 1.46 109.117 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.2 tpp180 -57.42 -9.19 0.97 Allowed 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.53 -0.731 . . . . 2.54 109.239 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.69 -36.75 47.87 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.225 -0.922 . . . . 0.37 108.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.52 32.24 5.53 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 107.755 -1.202 . . . . 0.51000000000000001 107.755 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.6 41.72 0.55 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 107.613 -1.255 . . . . 2.27 107.613 -178.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.518 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.0 tt0 51.71 25.2 2.75 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.212 -1.033 . . . . 1.97 108.212 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -44.75 -25.83 0.33 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.712 -0.618 . . . . 2.2799999999999998 109.515 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLU . 37.0 t70 -68.2 53.15 0.07 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 2.7999999999999998 109.502 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' N ' ' OD1' ' A' ' 16' ' ' ASP . 0.7 OUTLIER -69.77 38.53 0.04 OUTLIER 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.275 -0.891 . . . . 4.3499999999999996 109.411 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' ASP . 12.4 tm-20 -49.03 -47.46 44.62 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.318 -0.864 . . . . 4.7300000000000004 108.808 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -83.47 -26.06 30.59 Favored 'General case' 0 C--N 1.306 -1.324 0 O-C-N 121.332 -0.855 . . . . 7.3099999999999996 109.256 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -71.69 -6.07 62.11 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.448 -1.461 . . . . 7.1799999999999997 109.448 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.293 -1.122 . . . . 8.3699999999999992 109.488 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 2' ' ' VAL . 21.0 pttt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.688 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.3 p 34.38 46.28 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.545 -0.722 . . . . 0.0 110.088 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.02 -19.94 34.9 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.469 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 8.9 m-85 -45.48 -49.97 13.12 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.187 -1.184 . . . . 0.0 109.65 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.34 -47.35 18.56 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.262 -0.899 . . . . 0.0 109.609 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -66.72 -48.61 68.65 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.344 -0.847 . . . . 0.0 109.421 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 28.0 mmt180 -47.82 -30.92 4.4 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.256 -0.902 . . . . 0.0 108.954 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.575 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 1.1 m120 -70.88 -63.16 1.15 Allowed 'General case' 0 C--N 1.302 -1.494 0 CA-C-O 121.588 0.708 . . . . 0.0 109.344 179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.4 tpt180 -53.98 -8.11 0.16 Allowed 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.568 -0.708 . . . . 0.0 109.276 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.46 -37.41 56.94 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.248 -0.908 . . . . 0.0 109.264 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.486 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.78 27.3 7.82 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.91 -1.144 . . . . 0.0 107.91 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 80.35 40.18 0.08 Allowed 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 107.495 -1.298 . . . . 0.0 107.495 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 53.19 23.04 2.9 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.491 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.2 tm-20 -46.29 -23.66 0.38 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.327 0.585 . . . . 0.0 109.612 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.1 t70 -68.1 50.83 0.06 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.247 -0.908 . . . . 0.0 109.462 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 20' ' ' GLU . 8.5 t70 -70.08 37.93 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.246 -0.909 . . . . 0.0 109.442 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' H ' ' C ' ' A' ' 15' ' ' ASP . 22.8 tp10 -59.85 -42.93 94.74 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 108.864 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -82.06 -28.03 32.63 Favored 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.395 -0.816 . . . . 0.0 109.176 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.39 -57.76 3.07 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 16' ' ' ASP . 49.8 mm-40 . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.321 -1.105 . . . . 0.0 109.513 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.566 ' O ' ' C ' ' A' ' 2' ' ' VAL . 29.3 pttt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 2' ' ' VAL . 5.4 p 23.22 48.49 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.953 0 CA-C-O 121.446 0.641 . . . . 0.0 110.545 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -86.29 -35.19 11.05 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.582 -1.407 . . . . 0.0 109.582 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -46.26 -47.72 18.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.271 -1.135 . . . . 0.0 109.591 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -46.15 -46.51 17.28 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.292 -0.88 . . . . 0.0 109.601 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -62.73 -46.61 87.27 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.286 -0.884 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.542 ' NH1' ' HG2' ' A' ' 7' ' ' ARG . 1.6 mmt-85 -48.75 -31.98 7.83 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.238 -0.913 . . . . 0.0 108.881 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 10' ' ' ALA . 1.2 m-20 -70.85 -62.98 1.19 Allowed 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 121.613 0.721 . . . . 0.0 109.365 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.73 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -53.0 -8.08 0.09 Allowed 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.615 -0.678 . . . . 0.0 109.357 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.11 -37.29 53.71 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.163 -0.961 . . . . 0.0 109.28 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -123.19 26.89 7.81 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.485 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 6.9 mt 81.13 40.26 0.06 Allowed 'General case' 0 N--CA 1.486 1.358 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.1 tm-20 53.79 25.02 4.8 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -178.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.7 mt-10 -54.88 -38.21 67.25 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.779 -0.576 . . . . 0.0 109.497 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 -67.14 60.31 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.284 -0.885 . . . . 0.0 109.565 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.84 36.79 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.383 0 O-C-N 121.302 -0.874 . . . . 0.0 109.393 179.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.3 tp10 -50.34 -49.97 52.43 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.034 179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.89 -26.32 31.65 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.395 -0.815 . . . . 0.0 109.144 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.24 -55.73 4.62 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' ASP . 25.0 mt-10 . . . . . 0 N--CA 1.49 1.529 0 O-C-N 121.155 -1.203 . . . . 0.0 109.517 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.52 ' CD ' ' N ' ' A' ' 1' ' ' LYS . 10.7 mptt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.68 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.3 p 34.21 46.92 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 CA-C-O 121.525 0.678 . . . . 0.0 110.12 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.6 -43.12 5.89 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.682 -1.367 . . . . 0.0 109.682 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -45.59 -53.75 8.65 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.387 -1.067 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -44.98 -46.12 10.94 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -71.38 -48.03 52.54 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.25 -0.906 . . . . 0.0 109.563 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -48.3 -26.12 1.87 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.19 -0.944 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 10' ' ' ALA . 52.1 m-80 -79.34 -61.88 1.87 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.36 -0.838 . . . . 0.0 109.31 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.731 ' CB ' HH11 ' A' ' 9' ' ' ARG . 0.0 OUTLIER -58.24 -7.77 0.93 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.459 -0.776 . . . . 0.0 109.372 179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -52.32 -36.91 54.52 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.288 -0.883 . . . . 0.0 109.268 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.7 26.91 8.03 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 7.0 mt 79.92 40.1 0.09 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 -178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 13.1 tt0 53.17 22.69 2.72 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.522 ' O ' ' N ' ' A' ' 16' ' ' ASP . 1.5 tm-20 -45.96 -21.79 0.16 Allowed 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.828 -0.545 . . . . 0.0 109.605 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.3 t0 -66.18 60.27 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.578 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.522 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -70.5 37.92 0.05 OUTLIER 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.254 -0.904 . . . . 0.0 109.274 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 15' ' ' ASP . 4.1 tm-20 -47.19 -46.31 23.78 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.278 -0.889 . . . . 0.0 108.986 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.57 -25.67 28.52 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.319 -0.863 . . . . 0.0 109.091 179.638 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.69 -38.74 83.98 Favored Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 N--CA 1.49 1.547 0 O-C-N 121.125 -1.221 . . . . 0.0 109.53 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.596 ' O ' ' C ' ' A' ' 2' ' ' VAL . 75.1 mttt . . . . . 0 N--CA 1.489 1.484 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.727 ' O ' HG13 ' A' ' 2' ' ' VAL . 6.5 p 22.0 51.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 CA-C-O 121.427 0.632 . . . . 0.0 110.587 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -133.04 -33.06 0.38 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -46.86 -42.04 16.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -1.134 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -46.21 -43.35 15.24 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.317 -0.864 . . . . 0.0 109.688 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 7.2 ttpm? -56.93 -41.83 78.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.281 -0.887 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -49.55 -35.11 19.35 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.175 -0.953 . . . . 0.0 108.798 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 10' ' ' ALA . 3.0 m-20 -72.15 -63.26 1.18 Allowed 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.567 0.699 . . . . 0.0 109.342 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.428 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 7.6 ttp180 -51.63 -8.82 0.07 Allowed 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.515 -0.741 . . . . 0.0 109.516 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.93 -37.63 45.38 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.258 -0.901 . . . . 0.0 108.843 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.576 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -124.61 32.96 5.34 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.576 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.12 41.3 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.1 tt0 51.97 24.9 2.81 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -44.92 -61.3 1.66 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.693 -0.63 . . . . 0.0 109.537 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.5 t70 45.23 51.77 9.03 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.307 -0.871 . . . . 0.0 109.624 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 13.7 t70 -70.32 38.53 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.241 -0.912 . . . . 0.0 109.443 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 15' ' ' ASP . 7.8 mt-10 -60.16 -50.2 74.62 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.281 -0.887 . . . . 0.0 108.872 179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -87.59 -20.75 25.98 Favored 'General case' 0 N--CA 1.485 1.307 0 O-C-N 121.393 -0.817 . . . . 0.0 109.338 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.36 -2.91 36.39 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.265 -1.138 . . . . 0.0 109.473 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.519 ' CD ' ' N ' ' A' ' 1' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.691 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.21 47.56 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.878 0 O-C-N 121.609 -0.682 . . . . 0.0 110.094 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.69 -40.14 9.11 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -46.1 -55.64 6.71 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.275 -1.132 . . . . 0.0 109.603 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -46.73 -47.18 20.66 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.304 -0.873 . . . . 0.0 109.53 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 ttmt -66.1 -45.54 80.81 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.394 -0.816 . . . . 0.0 109.526 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.447 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 88.2 mtt180 -47.71 -33.89 7.57 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.105 -0.997 . . . . 0.0 108.992 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.676 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.8 OUTLIER -71.52 -63.1 1.19 Allowed 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 121.693 0.759 . . . . 0.0 109.348 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -53.24 -8.4 0.12 Allowed 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.45 -0.781 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -64.08 -36.19 83.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.716 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.71 -1.32 26.42 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.168 -0.958 . . . . 0.0 108.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD22 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.32 23.56 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 -179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 34.0 tt0 78.37 37.19 0.19 Allowed 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.46 ' CA ' ' OE1' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -41.24 -50.22 3.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.709 -0.62 . . . . 0.0 109.816 -179.874 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' GLU . 19.9 t70 45.49 52.11 9.33 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.513 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.48 39.24 0.05 OUTLIER 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.208 -0.933 . . . . 0.0 109.4 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 15' ' ' ASP . 26.3 tt0 -47.55 -39.56 16.74 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.334 -0.853 . . . . 0.0 109.074 179.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -89.95 -26.48 20.38 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.435 -0.791 . . . . 0.0 109.258 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.77 32.47 2.42 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.488 -1.445 . . . . 0.0 109.488 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.269 -1.136 . . . . 0.0 109.385 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' ' C ' ' A' ' 2' ' ' VAL . 89.5 mttt . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.699 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.5 p 33.99 47.09 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.614 -0.679 . . . . 0.0 110.096 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.73 -35.27 6.52 Favored Glycine 0 N--CA 1.492 2.412 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.446 ' O ' ' ND2' ' A' ' 8' ' ' ASN . 6.1 m-85 -46.41 -46.26 18.49 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.2 -1.177 . . . . 0.0 109.554 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -46.42 -46.74 18.88 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.281 -0.887 . . . . 0.0 109.559 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -66.85 -48.9 67.42 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -47.54 -30.64 3.69 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.214 -0.929 . . . . 0.0 108.936 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.528 HD22 ' N ' ' A' ' 8' ' ' ASN . 1.2 m120 -71.68 -63.53 1.11 Allowed 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.626 0.727 . . . . 0.0 109.311 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 13.5 tpt180 -52.94 -9.05 0.11 Allowed 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.53 -0.732 . . . . 0.0 109.321 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -50.84 -37.16 41.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.199 -0.938 . . . . 0.0 108.895 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -125.64 33.11 5.17 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 73.29 41.46 0.47 Allowed 'General case' 0 N--CA 1.489 1.501 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.52 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.6 tt0 52.15 24.81 2.92 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.6 OUTLIER -46.03 -71.12 0.08 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.662 -0.649 . . . . 0.0 109.562 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.515 ' C ' ' H ' ' A' ' 17' ' ' GLU . 32.4 t70 -65.62 67.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.325 -0.859 . . . . 0.0 109.536 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.67 36.01 0.06 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.275 -0.89 . . . . 0.0 109.293 179.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 15' ' ' ASP . 2.3 tm-20 -47.93 -47.37 32.47 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.451 -0.781 . . . . 0.0 108.978 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.549 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -84.35 -25.04 29.47 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.445 -0.785 . . . . 0.0 109.129 179.697 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' N ' ' OE1' ' A' ' 18' ' ' GLU . . . -67.08 -13.52 62.15 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' GLY . 35.7 mt-10 . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.31 -1.112 . . . . 0.0 109.49 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.578 ' O ' ' C ' ' A' ' 2' ' ' VAL . 57.1 mttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.683 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.7 p 23.14 48.28 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.458 0.647 . . . . 0.0 110.625 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -92.1 -37.44 5.99 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -46.84 -52.97 13.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.313 -1.11 . . . . 0.0 109.536 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -46.41 -48.11 18.81 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.246 -0.909 . . . . 0.0 109.605 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -68.69 -44.66 73.52 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.289 -0.882 . . . . 0.0 109.386 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -46.17 -29.35 1.52 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.261 -0.899 . . . . 0.0 108.915 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.616 ' N ' ' ND2' ' A' ' 8' ' ' ASN . 0.5 OUTLIER -81.45 -67.44 0.78 Allowed 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.59 -0.694 . . . . 0.0 109.24 179.646 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ttp180 -55.35 -6.83 0.18 Allowed 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.581 -0.699 . . . . 0.0 109.259 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -55.1 -35.81 65.0 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.385 -0.822 . . . . 0.0 109.527 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.522 ' O ' ' CB ' ' A' ' 12' ' ' LEU . . . -126.57 26.55 6.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' A' ' 11' ' ' ALA . 1.4 tp 83.0 40.98 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 107.683 -1.229 . . . . 0.0 107.683 -178.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 4.2 tm-20 54.26 23.72 4.5 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.552 ' O ' ' N ' ' A' ' 16' ' ' ASP . 2.1 tm-20 -53.58 -21.24 6.24 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.814 -0.554 . . . . 0.0 109.609 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 17' ' ' GLU . 22.2 t70 -66.51 50.83 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -0.903 . . . . 0.0 109.685 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.552 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -71.71 39.87 0.07 Allowed 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.264 -0.898 . . . . 0.0 109.37 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' H ' ' C ' ' A' ' 15' ' ' ASP . 6.7 tm-20 -46.1 -47.56 17.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.283 -0.886 . . . . 0.0 108.983 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -87.09 -23.76 24.8 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.422 -0.799 . . . . 0.0 109.334 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.12 4.53 17.38 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 N--CA 1.492 1.629 0 O-C-N 121.311 -1.111 . . . . 0.0 109.436 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.567 ' O ' ' C ' ' A' ' 2' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.692 ' O ' HG13 ' A' ' 2' ' ' VAL . 5.6 p 22.88 48.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 121.442 0.639 . . . . 0.0 110.661 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 1' ' ' LYS . . . -94.45 -26.61 13.23 Favored Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -46.31 -43.49 15.87 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.288 -1.124 . . . . 0.0 109.684 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -46.83 -46.36 20.78 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -68.79 -49.53 57.8 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.557 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -47.52 -35.24 8.58 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.26 -0.9 . . . . 0.0 109.383 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.433 ' C ' ' N ' ' A' ' 10' ' ' ALA . 37.6 m-20 -71.25 -57.72 4.22 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.466 -0.771 . . . . 0.0 109.471 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.2 tpp180 -54.84 -8.88 0.29 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.582 -0.699 . . . . 0.0 109.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 8' ' ' ASN . . . -49.37 -40.53 36.07 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.238 -0.914 . . . . 0.0 108.621 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -119.92 31.41 6.54 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 178.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.535 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.8 mm? 70.69 40.65 0.99 Allowed 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -178.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 3.8 tt0 51.28 25.31 2.44 Favored 'General case' 0 C--N 1.307 -1.259 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.15 -84.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.518 0 C-N-CA 120.196 -0.602 . . . . 0.0 109.724 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 17' ' ' GLU . 39.2 t0 -99.5 93.97 6.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.411 -0.806 . . . . 0.0 109.775 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' O ' ' OD1' ' A' ' 16' ' ' ASP . 18.1 t70 -73.93 28.3 0.07 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.32 -0.863 . . . . 0.0 109.18 179.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 15' ' ' ASP . 49.9 tt0 -54.56 -50.65 67.46 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.502 -0.749 . . . . 0.0 108.986 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 20' ' ' GLU . 32.0 tt0 -79.63 -28.3 40.92 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.271 -0.893 . . . . 0.0 109.373 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.32 7.56 2.55 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 18' ' ' GLU . 32.6 mm-40 . . . . . 0 N--CA 1.49 1.567 0 O-C-N 121.246 -1.15 . . . . 0.0 109.473 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 2' ' ' VAL . 39.7 mmtm . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.698 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.5 p 34.02 47.76 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.883 0 CA-C-O 121.519 0.676 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -84.38 -41.02 8.1 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -46.06 -49.51 16.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.288 -1.125 . . . . 0.0 109.644 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -46.0 -43.19 14.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -59.02 -39.76 82.92 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 109.55 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -52.49 -35.12 52.23 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.22 -0.925 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -71.09 -55.67 7.73 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.386 -0.821 . . . . 0.0 109.411 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' HA ' ' H ' ' A' ' 13' ' ' GLU . 10.6 tpp180 -58.69 -8.82 1.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.554 -0.716 . . . . 0.0 109.292 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.55 -37.45 39.53 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.307 -0.871 . . . . 0.0 109.023 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -122.4 31.28 6.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 107.808 -1.182 . . . . 0.0 107.808 179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 ' HB2' ' O ' ' A' ' 11' ' ' ALA . 3.9 mm? 72.82 40.91 0.56 Allowed 'General case' 0 N--CA 1.489 1.513 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 -178.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.9 tt0 52.22 24.86 3.01 Favored 'General case' 0 C--N 1.308 -1.232 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -45.41 -40.42 8.09 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.709 -0.619 . . . . 0.0 109.496 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.1 t0 45.68 71.44 0.28 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.334 -0.854 . . . . 0.0 109.62 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 19' ' ' GLY . 13.0 t70 -142.77 31.14 1.45 Allowed 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.454 -0.779 . . . . 0.0 108.952 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -56.84 -36.59 70.18 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.17 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -92.71 -27.66 17.12 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.361 -0.837 . . . . 0.0 109.31 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.427 ' O ' ' OD2' ' A' ' 16' ' ' ASP . . . -73.25 32.84 0.79 Allowed Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' ' 18' ' ' GLU . 11.1 mm-40 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.179 -1.189 . . . . 0.0 109.487 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 2' ' ' VAL . 90.3 mttt . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.705 ' O ' HG22 ' A' ' 2' ' ' VAL . 7.4 p 34.25 47.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.563 -0.711 . . . . 0.0 110.132 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.12 -27.78 27.35 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -46.34 -52.7 12.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.323 -1.104 . . . . 0.0 109.564 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -46.92 -44.89 20.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.285 -0.885 . . . . 0.0 109.614 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HB3' ' HZ2' ' A' ' 6' ' ' LYS . 18.2 ttpp -62.95 -43.44 98.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.276 -0.89 . . . . 0.0 109.631 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -49.0 -40.24 29.93 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.141 -0.975 . . . . 0.0 109.411 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 10' ' ' ALA . 41.8 m-80 -69.77 -56.1 8.07 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.488 -0.757 . . . . 0.0 109.492 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -55.26 -6.78 0.17 Allowed 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.518 -0.739 . . . . 0.0 109.442 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 8' ' ' ASN . . . -61.7 -37.71 85.16 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.368 -0.833 . . . . 0.0 110.349 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.728 ' O ' ' HB3' ' A' ' 12' ' ' LEU . . . -104.69 -0.24 27.67 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.177 -0.952 . . . . 0.0 109.108 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.937 ' O ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER 115.31 22.3 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.326 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 -179.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' CB ' ' O ' ' A' ' 12' ' ' LEU . 23.4 tt0 80.8 36.54 0.1 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' GLU . 0.5 OUTLIER -43.25 -61.85 1.22 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.673 -0.642 . . . . 0.0 109.678 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 17' ' ' GLU . 24.6 t70 45.44 52.26 9.15 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.188 -0.945 . . . . 0.0 109.591 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.85 38.98 0.07 Allowed 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.282 -0.886 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 15' ' ' ASP . 59.3 tt0 -48.58 -39.74 24.82 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.172 -0.955 . . . . 0.0 109.041 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -90.2 -27.61 19.43 Favored 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.386 -0.822 . . . . 0.0 109.279 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.77 47.66 1.23 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.299 -1.118 . . . . 0.0 109.422 -179.983 . . . . . . . . 0 0 . 1 stop_ save_