data_2m5p_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 2m5p _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.501 -0.921 0 CA-C-O 122.927 1.346 . . . . 0.0 111.449 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.566 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.568 ' C ' ' H ' ' X' ' 9' ' ' ASP . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.531 ' H ' ' HG ' ' X' ' 8' ' ' SER . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.7 ' HZ1' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.564 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' X' ' 17' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.7 ' HE ' ' HZ1' ' X' ' 13' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.656 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 CA--C 1.499 -0.983 0 CA-C-O 122.908 1.337 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' X' ' 9' ' ' ASP . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.53 ' C ' ' H ' ' X' ' 19' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.62 ' NH2' ' CG ' ' X' ' 22' ' ' PHE . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.528 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' X' ' 21' ' ' ASP . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 122.984 1.373 . . . . 0.0 111.07 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.535 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' THR . . . . . 0.418 ' C ' ' O ' ' X' ' 4' ' ' GLY . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.659 ' HZ1' ' CB ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' X' ' 17' ' ' ARG . 6.4 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.543 ' H ' ' C ' ' X' ' 15' ' ' ASP . 3.1 ptm180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' X' ' 20' ' ' GLN . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.447 ' N ' ' CD2' ' X' ' 22' ' ' PHE . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.836 1.303 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.539 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.626 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.723 ' HZ1' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.677 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.723 HH21 ' HZ1' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.914 0.388 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' X' ' 22' ' ' PHE . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' X' ' 21' ' ' ASP . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 80.6 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.881 0 CA-C-O 122.882 1.325 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.587 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.412 ' C ' ' H ' ' X' ' 20' ' ' GLN . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' X' ' 20' ' ' GLN . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' X' ' 21' ' ' ASP . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.503 -0.84 0 CA-C-O 122.818 1.294 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.545 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' X' ' 17' ' ' ARG . 13.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' X' ' 15' ' ' ASP . 1.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.726 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.726 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 27' ' ' MET . . . . . 0.48 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.86 0 CA-C-O 122.833 1.301 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.566 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.441 HD13 ' H ' ' X' ' 17' ' ' ARG . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 18' ' ' ARG . 0.9 OUTLIER -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' X' ' 24' ' ' GLN . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' X' ' 4' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 122.828 1.299 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.551 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' X' ' 8' ' ' SER . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.678 ' HZ1' ' NH2' ' X' ' 17' ' ' ARG . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.697 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.697 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' X' ' 27' ' ' MET . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 27' ' ' MET . . . . . 0.525 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.502 -0.886 0 CA-C-O 122.809 1.29 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.575 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' X' ' 8' ' ' SER . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . 0.668 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.6 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.479 ' H ' HD11 ' X' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.668 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.503 -0.859 0 CA-C-O 122.733 1.254 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 4' ' ' GLY . . . . . 0.564 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' LYS . . . . . 0.59 ' CB ' ' HZ2' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' ASP . . . . . 0.502 ' N ' ' CD1' ' X' ' 14' ' ' LEU . 35.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.605 0.24 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . 0.514 ' CG ' HE22 ' X' ' 24' ' ' GLN . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.1 OUTLIER -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 26' ' ' LEU . . . . . 0.598 ' CD1' ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 29' ' ' THR . . . . . 0.441 ' H ' ' C ' ' X' ' 27' ' ' MET . 2.5 m . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.511 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 13.1 p-80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.5 0.667 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.67 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.272 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.139 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -19.77 -40.96 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.921 0 O-C-N 125.605 1.815 . . . . 0.0 111.449 178.364 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.566 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.568 ' C ' ' H ' ' X' ' 9' ' ' ASP . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.531 ' H ' ' HG ' ' X' ' 8' ' ' SER . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.633 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.7 ' HZ1' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.564 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.466 ' C ' ' H ' ' X' ' 17' ' ' ARG . 0.1 OUTLIER -113.52 -47.7 2.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.46 ' O ' ' N ' ' X' ' 19' ' ' ALA 2.452 . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.7 ' HE ' ' HZ1' ' X' ' 13' ' ' LYS . 0.4 OUTLIER -51.05 -49.95 59.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.765 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.656 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.508 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.461 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -94.17 -31.75 14.01 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.048 0 O-C-N 123.997 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.581 ' CD ' ' H ' ' X' ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.633 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.419 ' C4 ' ' O ' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' X' ' 2' ' ' AIB . 35.6 p-80 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.729 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.501 -0.906 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.721 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' X' ' 2' ' ' AIB . 2.0 pt20 52.34 -51.88 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.687 1.867 . . . . 0.0 112.055 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.729 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.421 ' OD1' ' C ' ' X' ' 9' ' ' ASP . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.628 ' HZ1' ' C ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.477 ' O ' ' CB1' ' X' ' 16' ' ' AIB . 30.9 t70 -111.88 -57.16 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.477 ' CB1' ' O ' ' X' ' 15' ' ' ASP 2.444 . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.376 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.634 ' HE ' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -50.51 -52.64 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.62 ' NH2' ' CG ' ' X' ' 22' ' ' PHE . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.53 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.528 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.41 ' N ' ' C ' ' X' ' 21' ' ' ASP . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 18.12 0.08 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.021 0 O-C-N 123.968 0.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.634 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.63 ' C ' HH22 ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.508 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 16.3 p-80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.594 0.711 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.676 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.254 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.22 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.479 ' O ' ' C4 ' ' X' ' 103' ' ' PLM . 0.1 OUTLIER -20.54 -40.44 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 125.673 1.858 . . . . 0.0 111.07 177.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' THR . . . . . 0.418 ' C ' ' O ' ' X' ' 4' ' ' GLY . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.659 ' HZ1' ' CB ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' X' ' 17' ' ' ARG . 6.4 m-20 -107.55 -36.33 6.49 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.452 . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.026 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.53 ' H ' ' C ' ' X' ' 15' ' ' ASP . 3.1 ptm180 -79.71 -38.56 33.15 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.429 ' O ' ' CB ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' X' ' 20' ' ' GLN . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.447 ' N ' ' CD2' ' X' ' 22' ' ' PHE . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -140.78 -103.61 0.15 Allowed 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.044 0 O-C-N 124.082 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.442 ' C ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.479 ' C4 ' ' O ' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.515 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 14.8 p-80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.47 0.652 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.683 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.296 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.137 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -20.33 -40.67 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 125.621 1.826 . . . . 0.0 111.224 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.626 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.578 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.631 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.723 ' HZ1' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.677 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.473 ' O ' ' CB1' ' X' ' 16' ' ' AIB . 0.8 OUTLIER -108.1 -30.28 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.473 ' CB1' ' O ' ' X' ' 15' ' ' ASP 2.45 . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.224 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.723 HH21 ' HZ1' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -46.7 -54.27 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.025 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.495 ' C ' ' H ' ' X' ' 22' ' ' PHE . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' X' ' 21' ' ' ASP . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.527 ' CG2' ' N ' ' X' ' 30' ' ' NH2 . 80.6 m -151.55 -110.26 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . 0.527 ' N ' ' CG2' ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.219 -5.071 0 O-C-N 123.992 0.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.547 ' O ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.631 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.507 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 14.9 p-80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.457 0.646 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.688 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.495 -1.158 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.986 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -19.06 -41.17 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 125.677 1.861 . . . . 0.0 111.432 178.26 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.587 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.587 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.719 ' NZ ' ' H ' ' X' ' 102' ' ' GGL . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.448 ' O ' ' CB1' ' X' ' 16' ' ' AIB . 0.5 OUTLIER -97.05 -49.27 5.07 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.448 ' CB1' ' O ' ' X' ' 15' ' ' ASP 2.449 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.014 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' X' ' 102' ' ' GGL . 0.8 OUTLIER -104.74 -23.52 13.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.543 ' NH1' ' CD ' ' X' ' 102' ' ' GGL . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' X' ' 20' ' ' GLN . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.517 ' N ' ' O ' ' X' ' 21' ' ' ASP . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.61 ' CD1' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.586 ' CG2' ' N ' ' X' ' 30' ' ' NH2 . 6.8 t -72.8 -50.42 24.35 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . 0.586 ' N ' ' CG2' ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.22 -5.027 0 O-C-N 124.079 0.862 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.522 ' CD ' ' H ' ' X' ' 101' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.719 ' H ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.516 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 12.8 p-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.565 0.697 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.675 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.199 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.943 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -20.25 -40.5 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 125.618 1.824 . . . . 0.0 111.476 178.305 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.527 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.643 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' X' ' 17' ' ' ARG . 13.6 p-10 -110.28 -51.15 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.448 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.489 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.522 ' H ' ' C ' ' X' ' 15' ' ' ASP . 1.2 ptt85 -59.53 -41.9 91.06 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.726 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.726 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.552 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.48 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -91.29 9.07 32.93 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.04 0 O-C-N 123.836 0.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.611 ' C ' ' HZ3' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.643 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.623 ' C2 ' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.511 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 13.9 p-80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.529 0.68 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.681 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.493 -1.216 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.265 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -20.36 -40.3 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.86 0 O-C-N 125.68 1.863 . . . . 0.0 111.23 178.071 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.58 ' HZ1' ' C1 ' ' X' ' 103' ' ' PLM . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.441 HD13 ' H ' ' X' ' 17' ' ' ARG . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER -75.11 -76.61 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.459 ' C ' ' O ' ' X' ' 15' ' ' ASP 2.464 . . . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER -34.81 -39.54 0.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 -178.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 18' ' ' ARG . 0.9 OUTLIER -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' X' ' 24' ' ' GLN . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m -166.91 123.97 1.24 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.056 0 O-C-N 124.059 0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.482 ' OXT' ' OE1' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.537 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.58 ' C1 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.764 ' HE2' HE22 ' X' ' 3' ' ' GLN . 21.1 p-80 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.716 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.306 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.774 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.764 HE22 ' HE2' ' X' ' 1' ' ' HIS . 0.0 OUTLIER -15.35 -43.75 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 125.704 1.877 . . . . 0.0 111.481 178.596 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.759 ' HZ2' ' H ' ' X' ' 102' ' ' GGL . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.678 ' HZ1' ' NH2' ' X' ' 17' ' ' ARG . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -30.75 11.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.457 . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.697 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER -56.9 -40.89 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.41 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.697 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.537 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.552 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' X' ' 27' ' ' MET . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.525 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -101.94 -135.93 0.32 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.009 0 O-C-N 123.988 0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.511 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.759 ' H ' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.413 ' O2 ' ' O ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.507 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 15.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.516 0.675 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.708 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.178 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.044 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -17.33 -41.51 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 125.688 1.868 . . . . 0.0 111.601 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.603 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.603 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.619 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . 0.668 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.6 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.51 ' O ' ' CB1' ' X' ' 16' ' ' AIB . 0.0 OUTLIER -107.42 -37.32 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.51 ' CB1' ' O ' ' X' ' 15' ' ' ASP 2.43 . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.795 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.668 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -47.7 -48.3 29.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . 0.535 ' C ' ' H ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.535 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' X' ' 21' ' ' ASP . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m -88.16 121.52 30.66 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -4.988 0 O-C-N 123.938 0.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.608 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.619 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.582 ' C1 ' ' HZ3' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' HIS . . . . . 0.504 ' O ' ' CB2' ' X' ' 2' ' ' AIB . 15.3 p-80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' AIB . . . . . 0.678 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.185 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.952 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -19.67 -40.92 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.741 1.901 . . . . 0.0 111.402 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' LYS . . . . . 0.59 ' CB ' ' HZ2' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' LEU . . . . . 0.502 ' CD1' ' N ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' ASP . . . . . 0.502 ' N ' ' CD1' ' X' ' 14' ' ' LEU . 35.2 p-10 -112.91 53.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' AIB . . . . . 0.436 ' CB1' ' O ' ' X' ' 15' ' ' ASP 2.45 . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.625 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' ARG . . . . . 0.524 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 -62.38 -29.25 70.34 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.416 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' X' ' 17' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . 0.514 ' CG ' HE22 ' X' ' 24' ' ' GLN . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.1 OUTLIER -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TRP . . . . . 0.532 ' CH2' ' O2 ' ' X' ' 103' ' ' PLM . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' LEU . . . . . 0.598 ' CD1' ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' THR . . . . . 0.441 ' H ' ' C ' ' X' ' 27' ' ' MET . 2.5 m 55.11 105.09 0.01 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.038 0 O-C-N 124.069 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 101' ' ' GGL . . . . . 0.486 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 102' ' ' GGL . . . . . 0.564 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 103' ' ' PLM . . . . . 0.532 ' O2 ' ' CH2' ' X' ' 25' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 CA--C 1.501 -0.921 0 CA-C-O 122.927 1.346 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' X' ' 8' ' ' SER . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.577 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.499 ' N ' ' O ' ' X' ' 4' ' ' GLY . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.77 ' HZ3' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.532 ' O ' ' NE ' ' X' ' 17' ' ' ARG . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.77 ' HE ' ' HZ3' ' X' ' 13' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.667 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 . . . . . 0 CA--C 1.499 -0.983 0 CA-C-O 122.908 1.337 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.504 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' X' ' 14' ' ' LEU . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.424 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.514 ' NH2' ' O ' ' X' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.556 ' O ' HG23 ' X' ' 23' ' ' VAL . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.414 ' C ' HD12 ' X' ' 26' ' ' LEU . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 3' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 122.984 1.373 . . . . 0.0 111.07 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.535 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 5' ' ' THR . . . . . 0.662 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.619 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.526 ' CB ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' X' ' 19' ' ' ALA . 3.1 ptm180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.607 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.642 ' C ' HD11 ' X' ' 26' ' ' LEU . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.642 HD11 ' C ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.836 1.303 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.539 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.629 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.689 ' NZ ' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.668 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.689 HH21 ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.914 0.388 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.555 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.623 ' O ' HG23 ' X' ' 23' ' ' VAL . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.623 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.1 mp0 -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 80.6 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 . . . . . 0 CA--C 1.502 -0.881 0 CA-C-O 122.882 1.325 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' X' ' 17' ' ' ARG . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.573 ' HB3' HD23 ' X' ' 14' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.581 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.626 ' CD2' HG22 ' X' ' 23' ' ' VAL . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.626 HG22 ' CD2' ' X' ' 22' ' ' PHE . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.838 ' N ' HD13 ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.522 ' N ' HD22 ' X' ' 26' ' ' LEU . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 CA--C 1.503 -0.84 0 CA-C-O 122.818 1.294 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' X' ' 14' ' ' LEU . 1.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.783 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.783 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' X' ' 26' ' ' LEU . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.437 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 CA--C 1.503 -0.86 0 CA-C-O 122.833 1.301 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.553 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' X' ' 7' ' ' THR . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.648 HD12 ' N ' ' X' ' 15' ' ' ASP . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 15' ' ' ASP . . . . . 0.648 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.678 ' O ' HD21 ' X' ' 26' ' ' LEU . 4.5 tt0 -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.629 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.605 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.793 HD12 ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 3' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 122.828 1.299 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.551 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 5' ' ' THR . . . . . 0.472 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' X' ' 8' ' ' SER . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.728 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.728 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' X' ' 21' ' ' ASP . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.513 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 . . . . . 0 CA--C 1.502 -0.886 0 CA-C-O 122.809 1.29 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.544 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.656 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' X' ' 8' ' ' SER . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 13' ' ' LYS . . . . . 0.722 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.578 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.722 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.508 ' N ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 . . . . . 0 CA--C 1.503 -0.859 0 CA-C-O 122.733 1.254 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 4' ' ' GLY . . . . . 0.53 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' LYS . . . . . 0.438 ' HB3' ' HZ3' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' LEU . . . . . 0.956 HD12 ' H ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 15' ' ' ASP . . . . . 0.956 ' H ' HD12 ' X' ' 14' ' ' LEU . 35.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 17' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.605 0.24 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 20' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 24' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' X' ' 27' ' ' MET . 2.3 mt-30 -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 26' ' ' LEU . . . . . 0.745 HD12 ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 29' ' ' THR . . . . . 0.429 ' O ' ' O ' ' X' ' 28' ' ' ASN . 2.5 m . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.664 ' O ' HB23 ' X' ' 2' ' ' AIB . 13.1 p-80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.5 0.667 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.67 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.272 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.139 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -19.77 -40.96 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.921 0 O-C-N 125.605 1.815 . . . . 0.0 111.449 178.364 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.577 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.499 ' N ' ' O ' ' X' ' 4' ' ' GLY . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.633 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.661 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.532 ' O ' ' NE ' ' X' ' 17' ' ' ARG . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.474 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.1 OUTLIER -113.52 -47.7 2.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.474 HB12 ' O ' ' X' ' 15' ' ' ASP 2.452 . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.667 ' NH1' HH11 ' X' ' 18' ' ' ARG . 0.4 OUTLIER -51.05 -49.95 59.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.765 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.667 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -94.17 -31.75 14.01 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.048 0 O-C-N 123.997 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.579 ' CD ' ' NE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.633 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.419 ' C4 ' ' O ' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' X' ' 2' ' ' AIB . 35.6 p-80 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.729 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.501 -0.906 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.721 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' X' ' 2' ' ' AIB . 6.1 pt20 52.34 -51.88 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.687 1.867 . . . . 0.0 112.055 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.729 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' X' ' 14' ' ' LEU . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.607 ' HZ1' ' C ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.424 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.641 ' O ' HB12 ' X' ' 16' ' ' AIB . 30.9 t70 -111.88 -57.16 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.641 HB12 ' O ' ' X' ' 15' ' ' ASP 2.444 . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.376 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.671 ' HE ' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -50.51 -52.64 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.556 ' O ' HG23 ' X' ' 23' ' ' VAL . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.414 ' C ' HD12 ' X' ' 26' ' ' LEU . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 18.12 0.08 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.021 0 O-C-N 123.968 0.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.671 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.642 ' C ' HH22 ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.662 ' O ' HB23 ' X' ' 2' ' ' AIB . 16.3 p-80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.594 0.711 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.676 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.254 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.22 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.1 OUTLIER -20.54 -40.44 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 125.673 1.858 . . . . 0.0 111.07 177.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.662 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.619 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.526 ' CB ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.475 HD23 ' H ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' X' ' 17' ' ' ARG . 6.4 m-20 -107.55 -36.33 6.49 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.473 HB23 HD21 ' X' ' 14' ' ' LEU 2.452 . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.026 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' X' ' 15' ' ' ASP . 3.1 ptm180 -79.71 -38.56 33.15 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.607 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.642 ' C ' HD11 ' X' ' 26' ' ' LEU . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.642 HD11 ' C ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -140.78 -103.61 0.15 Allowed 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.044 0 O-C-N 124.082 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.4 ' HB3' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.442 ' C ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.49 ' CE ' HG21 ' X' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.66 ' O ' HB23 ' X' ' 2' ' ' AIB . 14.8 p-80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.47 0.652 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.683 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.296 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.137 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.73 ' OE1' ' HG2' ' X' ' 103' ' ' PLM . 0.1 OUTLIER -20.33 -40.67 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 125.621 1.826 . . . . 0.0 111.224 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.629 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.631 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.689 ' NZ ' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.668 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.66 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.8 OUTLIER -108.1 -30.28 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.66 HB12 ' O ' ' X' ' 15' ' ' ASP 2.45 . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.224 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.689 HH21 ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -46.7 -54.27 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.025 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.555 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.623 ' O ' HG23 ' X' ' 23' ' ' VAL . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.623 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.1 mp0 -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.725 HG22 ' N ' ' X' ' 30' ' ' NH2 . 80.6 m -151.55 -110.26 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . 0.725 ' N ' HG22 ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.219 -5.071 0 O-C-N 123.992 0.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.537 ' O ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.631 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.73 ' HG2' ' OE1' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.647 ' O ' HB23 ' X' ' 2' ' ' AIB . 14.9 p-80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.457 0.646 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.688 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.495 -1.158 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.986 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' X' ' 2' ' ' AIB . 1.7 pt20 -19.06 -41.17 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 125.677 1.861 . . . . 0.0 111.432 178.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.816 ' HZ1' ' H2 ' ' X' ' 102' ' ' GGL . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' X' ' 17' ' ' ARG . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.65 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.5 OUTLIER -97.05 -49.27 5.07 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.65 HB12 ' O ' ' X' ' 15' ' ' ASP 2.449 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.014 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.573 ' HB3' HD23 ' X' ' 14' ' ' LEU . 0.8 OUTLIER -104.74 -23.52 13.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.581 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.626 ' CD2' HG22 ' X' ' 23' ' ' VAL . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.626 HG22 ' CD2' ' X' ' 22' ' ' PHE . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.838 ' N ' HD13 ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.522 ' N ' HD22 ' X' ' 26' ' ' LEU . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.654 HG23 ' N ' ' X' ' 30' ' ' NH2 . 6.8 t -72.8 -50.42 24.35 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . 0.654 ' N ' HG23 ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.22 -5.027 0 O-C-N 124.079 0.862 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.417 ' N ' ' HA ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.816 ' H2 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.668 ' O ' HB23 ' X' ' 2' ' ' AIB . 12.8 p-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.565 0.697 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.675 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.199 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.943 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' X' ' 2' ' ' AIB . 1.9 pt20 -20.25 -40.5 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 125.618 1.824 . . . . 0.0 111.476 178.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.734 ' HZ3' ' C ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' X' ' 17' ' ' ARG . 13.6 p-10 -110.28 -51.15 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.448 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.489 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' X' ' 14' ' ' LEU . 1.2 ptt85 -59.53 -41.9 91.06 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.783 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.783 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' X' ' 26' ' ' LEU . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.437 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -91.29 9.07 32.93 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.04 0 O-C-N 123.836 0.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.734 ' C ' ' HZ3' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.643 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.468 ' C1 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.668 ' O ' HB23 ' X' ' 2' ' ' AIB . 13.9 p-80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.529 0.68 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.681 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.493 -1.216 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.265 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' X' ' 2' ' ' AIB . 2.0 pt20 -20.36 -40.3 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.86 0 O-C-N 125.68 1.863 . . . . 0.0 111.23 178.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' X' ' 7' ' ' THR . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.73 ' HZ2' ' HA ' ' X' ' 102' ' ' GGL . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.812 HD11 HB23 ' X' ' 16' ' ' AIB . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.648 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.2 OUTLIER -75.11 -76.61 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.812 HB23 HD11 ' X' ' 14' ' ' LEU 2.464 . . . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER -34.81 -39.54 0.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 -178.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.678 ' O ' HD21 ' X' ' 26' ' ' LEU . 4.5 tt0 -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.629 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.605 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.793 HD12 ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m -166.91 123.97 1.24 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.056 0 O-C-N 124.059 0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.504 ' H2 ' ' HA ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.73 ' HA ' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.46 ' O2 ' ' C ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.703 ' NE2' ' NE2' ' X' ' 3' ' ' GLN . 21.1 p-80 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.716 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.306 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.774 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.703 ' NE2' ' NE2' ' X' ' 1' ' ' HIS . 0.0 OUTLIER -15.35 -43.75 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 125.704 1.877 . . . . 0.0 111.481 178.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 5' ' ' THR . . . . . 0.472 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.82 ' HZ1' ' H2 ' ' X' ' 102' ' ' GGL . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.486 HD11 HB23 ' X' ' 16' ' ' AIB . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -30.75 11.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.486 HB23 HD11 ' X' ' 14' ' ' LEU 2.457 . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.728 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER -56.9 -40.89 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.41 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.728 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' X' ' 21' ' ' ASP . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.513 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -101.94 -135.93 0.32 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.009 0 O-C-N 123.988 0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.506 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.82 ' H2 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.413 ' O2 ' ' O ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.636 ' O ' HB23 ' X' ' 2' ' ' AIB . 15.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.516 0.675 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.708 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.178 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.044 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' X' ' 2' ' ' AIB . 1.8 pt20 -17.33 -41.51 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 125.688 1.868 . . . . 0.0 111.601 178.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.656 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.621 ' HZ3' ' C ' ' X' ' 101' ' ' GGL . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' LYS . . . . . 0.722 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.578 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.655 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.0 OUTLIER -107.42 -37.32 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.655 HB12 ' O ' ' X' ' 15' ' ' ASP 2.43 . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.795 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.722 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -47.7 -48.3 29.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.508 ' N ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m -88.16 121.52 30.66 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -4.988 0 O-C-N 123.938 0.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.655 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.619 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.547 ' C1 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 1' ' ' HIS . . . . . 0.658 ' O ' HB23 ' X' ' 2' ' ' AIB . 15.3 p-80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 2' ' ' AIB . . . . . 0.678 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.185 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.952 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' X' ' 2' ' ' AIB . 1.9 pt20 -19.67 -40.92 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.741 1.901 . . . . 0.0 111.402 178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 4' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' HZ2' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' LEU . . . . . 0.956 HD12 ' H ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 15' ' ' ASP . . . . . 0.956 ' H ' HD12 ' X' ' 14' ' ' LEU . 35.2 p-10 -112.91 53.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 16' ' ' AIB . . . . . 0.638 HB23 HD11 ' X' ' 14' ' ' LEU 2.45 . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.625 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 17' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 -62.38 -29.25 70.34 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.416 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 24' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' X' ' 27' ' ' MET . 2.3 mt-30 -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TRP . . . . . 0.532 ' CH2' ' O2 ' ' X' ' 103' ' ' PLM . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 26' ' ' LEU . . . . . 0.745 HD12 ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 29' ' ' THR . . . . . 0.429 ' O ' ' O ' ' X' ' 28' ' ' ASN . 2.5 m 55.11 105.09 0.01 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.038 0 O-C-N 124.069 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 101' ' ' GGL . . . . . 0.486 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 102' ' ' GGL . . . . . 0.564 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 103' ' ' PLM . . . . . 0.532 ' O2 ' ' CH2' ' X' ' 25' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.501 -0.921 0 CA-C-O 122.927 1.346 . . . . 0.0 111.449 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' X' ' 8' ' ' SER . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.577 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.499 ' N ' ' O ' ' X' ' 4' ' ' GLY . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.77 ' HZ3' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.532 ' O ' ' NE ' ' X' ' 17' ' ' ARG . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.77 ' HE ' ' HZ3' ' X' ' 13' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.461 0.099 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.667 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 . . . . . 0 CA--C 1.499 -0.983 0 CA-C-O 122.908 1.337 . . . . 0.0 112.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.504 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' X' ' 14' ' ' LEU . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.432 ' O ' ' CG ' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.424 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.514 ' NH2' ' O ' ' X' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.556 ' O ' HG23 ' X' ' 23' ' ' VAL . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.414 ' C ' HD12 ' X' ' 26' ' ' LEU . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.1 OUTLIER . . . . . 0 CA--C 1.505 -0.761 0 CA-C-O 122.984 1.373 . . . . 0.0 111.07 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.535 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . 0.662 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.619 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.526 ' CB ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.415 ' CD2' ' N ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.446 ' C ' ' H ' ' X' ' 19' ' ' ALA . 3.1 ptm180 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.805 0.336 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.607 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.642 ' C ' HD11 ' X' ' 26' ' ' LEU . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.642 HD11 ' C ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 CA-C-O 122.836 1.303 . . . . 0.0 111.224 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.539 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.629 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.689 ' NZ ' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.668 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.689 HH21 ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.914 0.388 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.555 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.623 ' O ' HG23 ' X' ' 23' ' ' VAL . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.623 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' X' ' 21' ' ' ASP . 0.6 OUTLIER -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 80.6 m . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.502 -0.881 0 CA-C-O 122.882 1.325 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' X' ' 17' ' ' ARG . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.573 ' HB3' HD23 ' X' ' 14' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.581 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.626 ' CD2' HG22 ' X' ' 23' ' ' VAL . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.626 HG22 ' CD2' ' X' ' 22' ' ' PHE . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.838 ' N ' HD13 ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.522 ' N ' HD22 ' X' ' 26' ' ' LEU . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.503 -0.84 0 CA-C-O 122.818 1.294 . . . . 0.0 111.476 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.549 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' X' ' 14' ' ' LEU . 1.2 ptt85 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.783 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.783 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' X' ' 26' ' ' LEU . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.437 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.503 -0.86 0 CA-C-O 122.833 1.301 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.553 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' X' ' 7' ' ' THR . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.648 HD12 ' N ' ' X' ' 15' ' ' ASP . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . 0.648 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.678 ' O ' HD21 ' X' ' 26' ' ' LEU . 0.9 OUTLIER -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.629 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.605 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.793 HD12 ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . 0.472 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.506 -0.737 0 CA-C-O 122.828 1.299 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.551 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . 0.472 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.522 ' N ' ' O ' ' X' ' 8' ' ' SER . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.728 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.181 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.728 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' X' ' 21' ' ' ASP . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.513 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.502 -0.886 0 CA-C-O 122.809 1.29 . . . . 0.0 111.601 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.544 ' C ' ' H ' ' X' ' 6' ' ' PHE . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.656 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' X' ' 8' ' ' SER . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . 0.722 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.578 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.722 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.508 ' N ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.503 -0.859 0 CA-C-O 122.733 1.254 . . . . 0.0 111.402 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 4' ' ' GLY . . . . . 0.53 ' C ' ' N ' ' X' ' 6' ' ' PHE . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' LYS . . . . . 0.438 ' HB3' ' HZ3' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' LEU . . . . . 0.956 HD12 ' H ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' ASP . . . . . 0.956 ' H ' HD12 ' X' ' 14' ' ' LEU . 35.2 p-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.605 0.24 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . 0.542 ' CG ' HE22 ' X' ' 24' ' ' GLN . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' GLN . . . . . 0.542 HE22 ' CG ' ' X' ' 21' ' ' ASP . 0.1 OUTLIER -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 26' ' ' LEU . . . . . 0.745 HD12 ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 29' ' ' THR . . . . . 0.429 ' O ' ' O ' ' X' ' 28' ' ' ASN . 2.5 m . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.664 ' O ' HB23 ' X' ' 2' ' ' AIB . 13.1 p-80 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 121.5 0.667 . . . . 0.0 110.367 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.67 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.272 0 CA-C-N 113.735 -1.575 . . . . 0.0 108.139 177.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.47 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -19.77 -40.96 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.921 0 O-C-N 125.605 1.815 . . . . 0.0 111.449 178.364 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 67.0 9.68 54.3 Favored Glycine 0 C--N 1.294 -1.795 0 CA-C-N 112.194 -2.275 . . . . 0.0 109.403 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.44 -17.14 0.07 Allowed 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 122.053 0.93 . . . . 0.0 110.471 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.577 ' CG ' ' N ' ' X' ' 7' ' ' THR . 20.7 p90 -109.63 -65.28 1.16 Allowed 'General case' 0 C--N 1.296 -1.735 0 CA-C-N 113.311 -1.768 . . . . 0.0 111.884 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.577 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.2 t -71.19 10.21 0.62 Allowed 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.532 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.499 ' N ' ' O ' ' X' ' 4' ' ' GLY . 0.2 OUTLIER -61.95 1.34 0.29 Allowed 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.121 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.9 OUTLIER -101.97 -54.05 2.8 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.964 -179.851 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -5.62 30.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.754 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.36 -56.98 2.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.985 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.633 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 2.9 mmtp -84.67 -56.06 3.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.271 -179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.661 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 4.0 pttp 170.86 -95.25 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.155 0.502 . . . . 0.0 110.844 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.532 ' O ' ' NE ' ' X' ' 17' ' ' ARG . 53.8 tp -102.67 152.89 20.68 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.321 -179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.474 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.1 OUTLIER -113.52 -47.7 2.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.75 0.31 . . . . 0.0 110.835 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.474 HB12 ' O ' ' X' ' 15' ' ' ASP 2.452 . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.667 ' NH1' HH11 ' X' ' 18' ' ' ARG . 0.4 OUTLIER -51.05 -49.95 59.58 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.546 -0.462 . . . . 0.0 109.765 179.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.667 HH11 ' NH1' ' X' ' 17' ' ' ARG . 3.8 mpp_? -71.33 9.92 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.596 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.68 -57.57 0.61 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.271 -179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 162.91 -23.82 0.0 OUTLIER 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 179.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.11 -10.51 0.13 Allowed 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.029 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.516 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 0.6 OUTLIER -45.87 -39.16 8.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.806 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.516 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 32.5 t -48.54 -33.15 4.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.138 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -78.02 -25.55 48.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.161 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' X' ' 22' ' ' PHE . 44.6 t90 -39.7 -57.05 1.6 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.535 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.23 56.58 0.85 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.313 0.578 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -52.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.517 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -90.58 7.96 36.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.563 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 4.9 t -94.17 -31.75 14.01 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.048 0 O-C-N 123.997 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.579 ' CD ' ' NE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.633 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.419 ' C4 ' ' O ' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' X' ' 2' ' ' AIB . 35.6 p-80 . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.729 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.501 -0.906 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.721 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' X' ' 2' ' ' AIB . 2.0 pt20 52.34 -51.88 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.983 0 O-C-N 125.687 1.867 . . . . 0.0 112.055 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.729 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.74 5.29 56.46 Favored Glycine 0 C--N 1.27 -3.094 0 CA-C-N 111.959 -2.382 . . . . 0.0 110.149 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -47.38 -17.95 0.1 Allowed 'General case' 0 CA--C 1.497 -1.06 0 CA-C-O 121.801 0.81 . . . . 0.0 110.01 178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 15.3 p90 -115.91 -69.78 0.83 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.609 -1.632 . . . . 0.0 112.941 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.0 t -62.71 5.93 0.11 Allowed 'General case' 0 C--N 1.304 -1.392 0 CA-C-N 115.562 -0.744 . . . . 0.0 112.243 -178.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.558 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.7 p -65.47 -91.38 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.979 0.895 . . . . 0.0 111.128 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.476 ' OD2' HD12 ' X' ' 14' ' ' LEU . 1.7 t0 -25.87 -59.17 0.07 Allowed 'General case' 0 C--N 1.303 -1.445 0 CA-C-N 113.517 -1.674 . . . . 0.0 113.838 -179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -60.19 -31.66 70.35 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.178 0.514 . . . . 0.0 110.408 -178.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.558 ' N ' ' O ' ' X' ' 8' ' ' SER . 14.1 t -91.9 -23.47 19.61 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.258 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.607 ' HZ1' ' C ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -150.54 69.62 0.99 Allowed 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -179.297 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.424 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 0.2 OUTLIER 63.97 -112.66 0.35 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.259 177.806 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.514 ' O ' ' NH2' ' X' ' 17' ' ' ARG . 19.0 tp -106.51 165.96 10.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.173 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.641 ' O ' HB12 ' X' ' 16' ' ' AIB . 30.9 t70 -111.88 -57.16 2.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.833 0.349 . . . . 0.0 110.908 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.641 HB12 ' O ' ' X' ' 15' ' ' ASP 2.444 . . . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.376 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.671 ' HE ' ' CD ' ' X' ' 101' ' ' GGL . 0.1 OUTLIER -50.51 -52.64 36.69 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.591 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 1.8 mpp_? -66.85 4.64 0.79 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 80.12 -55.1 0.37 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.688 -179.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.556 ' O ' HG23 ' X' ' 23' ' ' VAL . 0.5 OUTLIER 158.41 -24.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -52.68 -9.73 0.13 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.926 178.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.62 ' CG ' ' NH2' ' X' ' 18' ' ' ARG . 0.8 OUTLIER -43.42 -27.29 0.26 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.845 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.556 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.8 t -55.07 -40.31 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.283 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' X' ' 28' ' ' ASN . 36.2 mt-30 -72.2 -25.79 61.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.278 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -39.39 -73.31 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.937 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.414 ' C ' HD12 ' X' ' 26' ' ' LEU . 0.3 OUTLIER -82.35 33.26 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.056 0.455 . . . . 0.0 110.678 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 2.4 mtt -139.33 -72.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.57 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' X' ' 24' ' ' GLN . 7.3 t30 -88.59 11.47 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -162.81 18.12 0.08 Allowed 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.498 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.021 0 O-C-N 123.968 0.792 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.671 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.642 ' C ' HH22 ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.662 ' O ' HB23 ' X' ' 2' ' ' AIB . 16.3 p-80 . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.594 0.711 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.676 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.492 -1.254 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.22 177.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.662 ' HB2' HG22 ' X' ' 5' ' ' THR . 0.1 OUTLIER -20.54 -40.44 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.761 0 O-C-N 125.673 1.858 . . . . 0.0 111.07 177.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.676 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.84 2.7 52.69 Favored Glycine 0 C--N 1.297 -1.635 0 CA-C-N 112.055 -2.339 . . . . 0.0 110.663 179.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.662 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -41.78 -27.14 0.1 Allowed 'General case' 0 CA--C 1.489 -1.371 0 CA-C-O 122.429 1.109 . . . . 0.0 109.433 178.457 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.619 ' CG ' ' N ' ' X' ' 7' ' ' THR . 42.8 p90 -114.45 -61.72 1.7 Allowed 'General case' 0 C--N 1.296 -1.76 0 CA-C-N 112.602 -2.09 . . . . 0.0 112.014 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.619 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 4.7 t -81.82 8.34 10.47 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.862 -178.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.589 ' O ' ' N ' ' X' ' 11' ' ' SER . 1.2 p -42.77 -81.0 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.344 0.592 . . . . 0.0 110.283 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' X' ' 8' ' ' SER . 3.6 t0 -25.65 -52.16 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 114.166 -1.379 . . . . 0.0 113.085 -179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -72.51 -40.56 66.72 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.528 0.68 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.589 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.5 OUTLIER -102.83 39.03 1.61 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.77 -1.105 . . . . 0.0 110.054 179.62 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.523 ' N ' ' O ' ' X' ' 8' ' ' SER . 22.4 tptp -166.4 -76.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.089 0.471 . . . . 0.0 111.11 -178.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.526 ' CB ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -168.13 -86.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.286 -179.46 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.475 HD23 ' H ' ' X' ' 17' ' ' ARG . 5.8 tt -145.53 150.03 35.69 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.827 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' X' ' 17' ' ' ARG . 6.4 m-20 -107.55 -36.33 6.49 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.611 -179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.473 HB23 HD21 ' X' ' 14' ' ' LEU 2.452 . . . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.026 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.504 ' H ' ' C ' ' X' ' 15' ' ' ASP . 3.1 ptm180 -79.71 -38.56 33.15 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.125 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.607 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -73.4 11.0 0.85 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.814 179.396 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 76.53 -52.36 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.045 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.7 tt0 138.84 63.83 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.655 1.222 . . . . 0.0 108.114 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.522 ' OD2' ' CG ' ' X' ' 25' ' ' TRP . 1.0 OUTLIER -154.22 -50.09 0.09 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.487 -178.829 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' X' ' 21' ' ' ASP . 3.1 p90 23.67 -123.06 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 O-C-N 124.173 0.92 . . . . 0.0 111.982 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.642 ' C ' HD11 ' X' ' 26' ' ' LEU . 0.8 OUTLIER -97.16 21.83 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.075 -179.033 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -115.13 -17.19 11.47 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.373 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.522 ' CG ' ' OD2' ' X' ' 21' ' ' ASP . 0.5 OUTLIER -94.59 -12.01 28.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.337 -179.444 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.642 HD11 ' C ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -88.98 -0.23 57.23 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.518 179.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 7.0 ttt -122.52 -59.29 1.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.59 -18.04 1.56 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.571 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 18.8 m -140.78 -103.61 0.15 Allowed 'General case' 0 C--O 1.22 -0.47 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.544 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.044 0 O-C-N 124.082 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.4 ' HB3' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.442 ' C ' ' O2 ' ' X' ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.49 ' CE ' HG21 ' X' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.66 ' O ' HB23 ' X' ' 2' ' ' AIB . 14.8 p-80 . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 121.47 0.652 . . . . 0.0 110.327 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.683 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.296 0 CA-C-N 113.759 -1.564 . . . . 0.0 108.137 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.73 ' OE1' ' HG2' ' X' ' 103' ' ' PLM . 0.1 OUTLIER -20.33 -40.67 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.836 0 O-C-N 125.621 1.826 . . . . 0.0 111.224 178.069 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.683 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.1 4.26 48.55 Favored Glycine 0 C--N 1.296 -1.665 0 CA-C-N 112.189 -2.278 . . . . 0.0 110.133 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.1 t -43.45 -21.23 0.03 OUTLIER 'General case' 0 CA--C 1.498 -1.055 0 CA-C-O 122.07 0.938 . . . . 0.0 109.644 178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.629 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.4 p90 -118.05 -62.82 1.5 Allowed 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.129 -1.85 . . . . 0.0 111.937 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.629 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 7.0 t -83.66 14.76 3.6 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-N 114.768 -1.105 . . . . 0.0 112.484 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.494 ' N ' ' O ' ' X' ' 4' ' ' GLY . 2.3 m -50.79 -7.17 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.68 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.537 ' H ' ' C ' ' X' ' 7' ' ' THR . 3.9 t0 -101.11 -45.94 5.23 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.624 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.644 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -81.4 13.37 3.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.255 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.8 -34.26 1.02 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.796 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.631 ' NZ ' ' N ' ' X' ' 102' ' ' GGL . 10.1 mmtp -108.17 -53.12 2.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.306 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.689 ' NZ ' HH21 ' X' ' 17' ' ' ARG . 0.0 OUTLIER 160.49 -90.14 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.98 -179.04 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.668 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 64.5 tp -101.33 146.16 27.94 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.911 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.66 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.8 OUTLIER -108.1 -30.28 8.5 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.348 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.66 HB12 ' O ' ' X' ' 15' ' ' ASP 2.45 . . . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.224 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.689 HH21 ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -46.7 -54.27 10.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.025 179.67 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.555 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.3 OUTLIER -72.78 14.52 0.26 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.955 179.416 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.04 -52.56 0.71 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.014 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.623 ' O ' HG23 ' X' ' 23' ' ' VAL . 7.5 tt0 157.7 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -50.06 -12.51 0.08 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.865 178.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.496 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER -43.28 -24.53 0.09 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.919 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.623 HG23 ' O ' ' X' ' 20' ' ' GLN . 2.9 t -59.21 -40.34 80.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.135 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.322 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' X' ' 21' ' ' ASP . 0.6 OUTLIER -71.46 -25.1 62.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.111 179.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -40.02 -65.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.973 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.24 43.13 1.1 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.292 0.568 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . . . . . . . . . 1.1 ttt -137.07 -47.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.12 1.92 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.542 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.725 HG22 ' N ' ' X' ' 30' ' ' NH2 . 80.6 m -151.55 -110.26 0.05 Allowed 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.573 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . 0.725 ' N ' HG22 ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.219 -5.071 0 O-C-N 123.992 0.808 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.537 ' O ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.631 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.73 ' HG2' ' OE1' ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.647 ' O ' HB23 ' X' ' 2' ' ' AIB . 14.9 p-80 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.457 0.646 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.688 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.495 -1.158 0 CA-C-N 113.7 -1.591 . . . . 0.0 107.986 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.469 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -19.06 -41.17 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 125.677 1.861 . . . . 0.0 111.432 178.26 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.688 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.47 6.98 59.87 Favored Glycine 0 C--N 1.296 -1.642 0 CA-C-N 112.105 -2.316 . . . . 0.0 110.351 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -47.82 -15.83 0.07 Allowed 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.811 0.815 . . . . 0.0 110.385 178.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.649 ' CG ' ' N ' ' X' ' 7' ' ' THR . 14.6 p90 -117.78 -69.0 0.88 Allowed 'General case' 0 C--N 1.301 -1.542 0 CA-C-N 113.518 -1.674 . . . . 0.0 112.633 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.649 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 2.8 t -62.06 5.64 0.09 Allowed 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.055 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.61 ' O ' ' N ' ' X' ' 11' ' ' SER . 2.8 p -69.22 -104.66 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' X' ' 8' ' ' SER . 1.6 t0 -10.72 -52.56 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.606 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -64.28 -48.77 74.41 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.51 0.672 . . . . 0.0 109.375 -179.053 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.61 ' N ' ' O ' ' X' ' 8' ' ' SER . 12.6 t -80.41 -23.86 40.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.699 -1.137 . . . . 0.0 110.053 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.816 ' HZ1' ' H2 ' ' X' ' 102' ' ' GGL . 3.7 mmtp -91.26 -91.09 0.15 Allowed 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.197 -179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.1 -81.27 0.09 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.134 -178.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.573 HD23 ' HB3' ' X' ' 17' ' ' ARG . 61.6 tp -130.17 146.24 51.78 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.748 -178.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.65 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.5 OUTLIER -97.05 -49.27 5.07 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.681 179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.65 HB12 ' O ' ' X' ' 15' ' ' ASP 2.449 . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.014 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.573 ' HB3' HD23 ' X' ' 14' ' ' LEU . 0.8 OUTLIER -104.74 -23.52 13.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.874 0.369 . . . . 0.0 110.443 179.503 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.598 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 16.5 mtp85 -86.41 29.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.426 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 74.3 -49.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.459 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.545 ' CB ' ' O ' ' X' ' 19' ' ' ALA . 2.5 tt0 132.11 54.83 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.837 0 O-C-N 124.738 1.274 . . . . 0.0 108.434 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.581 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.1 OUTLIER -136.77 -40.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.159 -179.036 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.626 ' CD2' HG22 ' X' ' 23' ' ' VAL . 0.9 OUTLIER 33.57 -88.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.257 -179.302 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.626 HG22 ' CD2' ' X' ' 22' ' ' PHE . 6.7 m -107.11 43.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.81 0.338 . . . . 0.0 110.737 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.551 ' N ' ' O ' ' X' ' 21' ' ' ASP . 87.7 mt-30 38.65 29.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.597 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.546 ' CD2' ' O ' ' X' ' 25' ' ' TRP . 77.2 t90 -63.09 -0.6 0.76 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 120.101 -0.639 . . . . 0.0 109.668 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.838 ' N ' HD13 ' X' ' 26' ' ' LEU . 0.0 OUTLIER -141.42 2.83 1.68 Allowed 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.221 -178.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.522 ' N ' HD22 ' X' ' 26' ' ' LEU . 3.1 tpt -101.9 -52.7 3.12 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.523 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -102.22 19.76 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.654 HG23 ' N ' ' X' ' 30' ' ' NH2 . 6.8 t -72.8 -50.42 24.35 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.057 -0.973 . . . . 0.0 110.624 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . 0.654 ' N ' HG23 ' X' ' 29' ' ' THR . . . . . . . . 1 C--N 1.22 -5.027 0 O-C-N 124.079 0.862 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.417 ' N ' ' HA ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.816 ' H2 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.668 ' O ' HB23 ' X' ' 2' ' ' AIB . 12.8 p-80 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.565 0.697 . . . . 0.0 110.292 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.675 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.199 0 CA-C-N 113.682 -1.599 . . . . 0.0 107.943 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.461 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -20.25 -40.5 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.84 0 O-C-N 125.618 1.824 . . . . 0.0 111.476 178.305 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.65 8.28 46.0 Favored Glycine 0 C--N 1.297 -1.62 0 CA-C-N 112.121 -2.308 . . . . 0.0 109.73 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -46.98 -15.2 0.03 OUTLIER 'General case' 0 CA--C 1.495 -1.144 0 CA-C-O 122.067 0.936 . . . . 0.0 111.174 178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.592 ' CG ' ' N ' ' X' ' 7' ' ' THR . 24.9 p90 -107.96 -62.33 1.46 Allowed 'General case' 0 C--N 1.291 -1.94 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.424 -178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.592 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 10.1 t -83.68 11.06 7.88 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.584 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.518 ' N ' ' O ' ' X' ' 4' ' ' GLY . 1.1 p -64.65 1.34 0.86 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.165 0.507 . . . . 0.0 110.951 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' X' ' 7' ' ' THR . 0.2 OUTLIER -105.89 -63.1 1.29 Allowed 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.719 -178.021 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.452 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.5 OUTLIER -56.38 -17.99 9.65 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.504 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.415 ' N ' ' C ' ' X' ' 9' ' ' ASP . 29.5 t -105.62 -31.36 8.97 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 114.158 -1.383 . . . . 0.0 109.317 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.734 ' HZ3' ' C ' ' X' ' 101' ' ' GGL . 0.0 OUTLIER -140.5 80.35 1.75 Allowed 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.394 0.616 . . . . 0.0 110.777 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.426 ' O ' ' OD2' ' X' ' 9' ' ' ASP . 11.3 pttp 31.44 -99.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.32 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.49 ' O ' ' CZ ' ' X' ' 17' ' ' ARG . 53.5 tp -106.18 153.45 22.1 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.551 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' X' ' 17' ' ' ARG . 13.6 p-10 -110.28 -51.15 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.005 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . . . . . . . . 2.448 . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.489 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' X' ' 14' ' ' LEU . 1.2 ptt85 -59.53 -41.9 91.06 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.783 ' NE ' ' H ' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -146.15 -109.69 0.1 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.384 178.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.783 ' H ' ' NE ' ' X' ' 18' ' ' ARG . . . 46.9 12.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.01 0.433 . . . . 0.0 110.656 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.525 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.53 0.58 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.3 -18.17 2.01 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 114.068 -1.424 . . . . 0.0 109.078 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.526 ' CG ' ' N ' ' X' ' 23' ' ' VAL . 3.5 p90 -45.7 -36.07 4.68 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.271 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.526 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 0.0 OUTLIER -46.34 -36.08 2.63 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.887 179.754 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' X' ' 28' ' ' ASN . 4.3 mt-30 -74.96 -27.55 60.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.891 179.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.525 ' N ' ' O ' ' X' ' 22' ' ' PHE . 20.8 t90 -37.95 -74.7 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.929 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.42 ' HG ' ' H ' ' X' ' 26' ' ' LEU . 0.3 OUTLIER -77.32 31.94 0.15 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.641 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.437 ' H ' ' C ' ' X' ' 25' ' ' TRP . 1.1 tpt -134.22 -29.75 1.23 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.581 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' X' ' 24' ' ' GLN . 17.6 m-20 -107.17 6.0 28.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.621 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 5.6 t -91.29 9.07 32.93 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 118.079 -0.963 . . . . 0.0 110.564 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.04 0 O-C-N 123.836 0.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.734 ' C ' ' HZ3' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.643 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.468 ' C1 ' ' OXT' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.668 ' O ' HB23 ' X' ' 2' ' ' AIB . 13.9 p-80 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.529 0.68 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.681 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.493 -1.216 0 CA-C-N 113.775 -1.557 . . . . 0.0 108.265 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.465 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.1 OUTLIER -20.36 -40.3 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.86 0 O-C-N 125.68 1.863 . . . . 0.0 111.23 178.071 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.681 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 66.83 7.12 40.57 Favored Glycine 0 C--N 1.293 -1.824 0 CA-C-N 112.304 -2.226 . . . . 0.0 109.68 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.4 t -44.32 -18.47 0.02 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 122.082 0.944 . . . . 0.0 110.103 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.611 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.2 p90 -117.36 -62.91 1.51 Allowed 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 113.131 -1.849 . . . . 0.0 112.02 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.611 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 6.0 t -81.85 9.22 8.47 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 114.924 -1.034 . . . . 0.0 112.707 -178.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.5 ' N ' ' O ' ' X' ' 4' ' ' GLY . 4.5 m -56.59 -6.32 0.3 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.415 0.626 . . . . 0.0 110.447 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.526 ' H ' ' C ' ' X' ' 7' ' ' THR . 1.9 t0 -92.18 -64.15 1.15 Allowed 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.313 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' X' ' 7' ' ' THR . 0.1 OUTLIER -71.12 -6.55 40.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.771 179.58 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 16.9 t -101.28 -32.29 10.57 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.614 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.73 ' HZ2' ' HA ' ' X' ' 102' ' ' GGL . 8.2 mmtp -109.97 -74.65 0.64 Allowed 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.149 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -149.23 -78.15 0.14 Allowed 'General case' 0 CA--C 1.519 -0.212 0 CA-C-O 121.235 0.54 . . . . 0.0 110.297 -178.658 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.812 HD11 HB23 ' X' ' 16' ' ' AIB . 0.3 OUTLIER -148.07 149.34 31.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.534 -178.869 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.648 ' N ' HD12 ' X' ' 14' ' ' LEU . 0.2 OUTLIER -75.11 -76.61 0.14 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.375 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.812 HB23 HD11 ' X' ' 14' ' ' LEU 2.464 . . . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 -179.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.522 ' N ' ' O ' ' X' ' 15' ' ' ASP . 0.0 OUTLIER -34.81 -39.54 0.1 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.092 0.472 . . . . 0.0 110.352 -178.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.524 ' O ' ' N ' ' X' ' 20' ' ' GLN . 54.3 mtp85 -129.23 -122.44 0.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.981 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 44.22 17.68 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.863 -179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.678 ' O ' HD21 ' X' ' 26' ' ' LEU . 0.9 OUTLIER -172.54 34.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.26 -179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.629 ' HA ' HD11 ' X' ' 26' ' ' LEU . 0.2 OUTLIER -170.34 -40.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.451 -178.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.5 OUTLIER 34.01 -89.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.248 -179.205 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.605 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.4 m -103.83 42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.012 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' X' ' 21' ' ' ASP . 1.6 mt-30 41.85 24.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.092 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.488 ' O ' ' N ' ' X' ' 27' ' ' MET . 38.0 t90 -50.14 -57.18 8.27 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.29 -0.564 . . . . 0.0 109.883 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.793 HD12 ' N ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -40.09 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.559 179.515 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.488 ' N ' ' O ' ' X' ' 25' ' ' TRP . 15.0 mtt -101.07 -58.57 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.533 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -47.48 -15.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.463 ' N ' ' C ' ' X' ' 27' ' ' MET . 97.6 m -166.91 123.97 1.24 Allowed 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 117.909 -1.044 . . . . 0.0 110.602 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.056 0 O-C-N 124.059 0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.504 ' H2 ' ' HA ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.73 ' HA ' ' HZ2' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.46 ' O2 ' ' C ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.648 ' O ' HB23 ' X' ' 2' ' ' AIB . 21.1 p-80 . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.626 0.727 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.716 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.491 -1.306 0 CA-C-N 113.344 -1.753 . . . . 0.0 107.774 177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.553 ' OE1' ' NE2' ' X' ' 1' ' ' HIS . 0.0 OUTLIER -15.35 -43.75 0.0 OUTLIER 'General case' 0 CA--C 1.506 -0.737 0 O-C-N 125.704 1.877 . . . . 0.0 111.481 178.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.716 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 69.49 1.93 32.05 Favored Glycine 0 C--N 1.295 -1.742 0 CA-C-N 112.27 -2.241 . . . . 0.0 111.245 178.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . 0.472 HG22 ' HB2' ' X' ' 3' ' ' GLN . 0.1 OUTLIER -42.86 -23.07 0.03 OUTLIER 'General case' 0 CA--C 1.496 -1.121 0 CA-C-O 122.207 1.003 . . . . 0.0 109.202 177.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.639 ' CG ' ' N ' ' X' ' 7' ' ' THR . 19.4 p90 -116.78 -62.39 1.59 Allowed 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 112.973 -1.921 . . . . 0.0 112.303 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.639 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -83.1 4.88 24.51 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-N 114.873 -1.058 . . . . 0.0 113.385 -178.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.522 ' O ' ' N ' ' X' ' 12' ' ' LYS . 5.6 t -46.0 -64.06 0.83 Allowed 'General case' 0 CA--C 1.504 -0.791 0 CA-C-O 122.079 0.943 . . . . 0.0 109.226 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -33.34 -60.63 0.34 Allowed 'General case' 0 C--N 1.299 -1.604 0 CA-C-N 113.288 -1.778 . . . . 0.0 112.325 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.1 OUTLIER -64.68 -28.32 69.52 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.169 0.509 . . . . 0.0 109.896 -179.333 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.519 ' N ' ' O ' ' X' ' 8' ' ' SER . 0.1 OUTLIER -100.61 18.39 19.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.095 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.82 ' HZ1' ' H2 ' ' X' ' 102' ' ' GGL . 10.2 mmtp -145.98 -89.04 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.259 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.99 -85.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.275 -178.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.486 HD11 HB23 ' X' ' 16' ' ' AIB . 37.5 tp -129.85 132.42 46.45 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.744 -178.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.76 -30.75 11.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.914 0.387 . . . . 0.0 110.563 179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.486 HB23 HD11 ' X' ' 14' ' ' LEU 2.457 . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.728 HH21 HH11 ' X' ' 18' ' ' ARG . 0.8 OUTLIER -56.9 -40.89 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.174 -0.611 . . . . 0.0 109.41 179.837 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.728 HH11 HH21 ' X' ' 17' ' ' ARG . 4.7 ptm180 -132.94 -132.35 0.18 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.191 178.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' X' ' 18' ' ' ARG . . . 56.33 10.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -178.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.491 ' H ' ' C ' ' X' ' 18' ' ' ARG . 0.3 OUTLIER -165.1 18.0 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.613 -179.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.3 OUTLIER -158.21 -44.09 0.06 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.706 -1.133 . . . . 0.0 110.185 -178.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 33.99 -88.3 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.918 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.631 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.0 m -98.34 42.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.576 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.518 ' N ' ' O ' ' X' ' 21' ' ' ASP . 18.9 mt-30 58.46 42.55 20.95 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.209 -179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.438 ' C ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 41.91 64.63 1.03 Allowed 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.749 0.785 . . . . 0.0 109.049 -179.371 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.82 26.36 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.781 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.513 ' N ' ' O ' ' X' ' 24' ' ' GLN . 0.1 OUTLIER 80.83 94.74 0.05 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.779 179.653 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 35.3 m120 39.78 33.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.782 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . . . . . . . . . 1.3 m -101.94 -135.93 0.32 Allowed 'General case' 0 C--O 1.22 -0.49 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.523 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -5.009 0 O-C-N 123.988 0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.506 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.82 ' H2 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.413 ' HB2' HE21 ' X' ' 3' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.636 ' O ' HB23 ' X' ' 2' ' ' AIB . 15.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.516 0.675 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.708 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.178 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.044 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -17.33 -41.51 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 125.688 1.868 . . . . 0.0 111.601 178.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.708 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 71.46 5.23 59.42 Favored Glycine 0 C--N 1.295 -1.741 0 CA-C-N 112.18 -2.282 . . . . 0.0 110.312 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -45.49 -17.19 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 121.848 0.832 . . . . 0.0 110.244 178.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.656 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.0 p90 -119.23 -70.37 0.79 Allowed 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.792 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.656 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 3.7 t -62.76 7.43 0.08 Allowed 'General case' 0 C--N 1.308 -1.198 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.796 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.571 ' O ' ' N ' ' X' ' 11' ' ' SER . 6.0 m -72.45 -90.95 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.665 0.745 . . . . 0.0 110.427 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' X' ' 8' ' ' SER . 4.9 t70 -20.02 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 113.759 -1.564 . . . . 0.0 113.744 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.643 ' CD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -80.05 -45.08 18.94 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.161 0.505 . . . . 0.0 110.135 -178.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . 0.571 ' N ' ' O ' ' X' ' 8' ' ' SER . 4.7 t -83.18 -2.48 55.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.835 179.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.621 ' HZ3' ' C ' ' X' ' 101' ' ' GGL . 21.4 mmtp -128.94 -81.25 0.57 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.314 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . 0.722 ' NZ ' ' HE ' ' X' ' 17' ' ' ARG . 1.7 pttp -174.05 -84.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.629 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.578 ' H ' ' CG ' ' X' ' 13' ' ' LYS . 50.3 tp -95.84 162.7 13.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.773 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.655 ' O ' HB12 ' X' ' 16' ' ' AIB . 0.0 OUTLIER -107.42 -37.32 6.25 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 178.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.655 HB12 ' O ' ' X' ' 15' ' ' ASP 2.43 . . . . . . . 0 N--CA 1.463 0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.795 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.722 ' HE ' ' NZ ' ' X' ' 13' ' ' LYS . 0.0 OUTLIER -47.7 -48.3 29.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 179.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.508 ' C ' ' N ' ' X' ' 20' ' ' GLN . 0.4 OUTLIER -126.7 -125.13 0.23 Allowed 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.027 179.428 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . . . . . . . . . . . 48.84 14.56 0.08 Allowed 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.508 ' N ' ' C ' ' X' ' 18' ' ' ARG . 0.1 OUTLIER -170.41 20.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.489 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.554 ' O ' ' N ' ' X' ' 23' ' ' VAL . 0.4 OUTLIER -162.87 -58.49 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.755 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.607 ' CD1' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 35.76 -88.67 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.705 -179.37 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.654 ' O ' HG23 ' X' ' 23' ' ' VAL . 4.3 m -95.94 44.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.442 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' X' ' 27' ' ' MET . 20.1 mt-30 58.05 41.55 23.95 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.156 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' X' ' 27' ' ' MET . 0.0 OUTLIER 42.25 65.11 0.95 Allowed 'General case' 0 N--CA 1.454 -0.262 0 CA-C-O 121.762 0.792 . . . . 0.0 108.899 -179.297 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' X' ' 27' ' ' MET . 2.1 mm? 41.42 25.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.794 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.519 ' N ' ' O ' ' X' ' 24' ' ' GLN . 3.8 tpt 81.19 94.3 0.05 OUTLIER 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.884 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . . . . . . . . . 12.7 m120 39.44 27.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.986 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.452 ' N ' ' O ' ' X' ' 27' ' ' MET . 3.3 m -88.16 121.52 30.66 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.554 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.221 -4.988 0 O-C-N 123.938 0.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.655 ' CD ' ' HE ' ' X' ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.619 ' N ' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.547 ' C1 ' ' HZ1' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' HIS . . . . . 0.658 ' O ' HB23 ' X' ' 2' ' ' AIB . 15.3 p-80 . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.487 0.66 . . . . 0.0 110.326 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' AIB . . . . . 0.678 ' O ' ' N ' ' X' ' 4' ' ' GLY . . . . . . . . 0 CA--C 1.494 -1.185 0 CA-C-N 113.672 -1.604 . . . . 0.0 107.952 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' X' ' 2' ' ' AIB . 0.2 OUTLIER -19.67 -40.92 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.741 1.901 . . . . 0.0 111.402 178.466 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' GLY . . . . . 0.678 ' N ' ' O ' ' X' ' 2' ' ' AIB . . . 70.42 4.82 53.07 Favored Glycine 0 C--N 1.295 -1.698 0 CA-C-N 112.215 -2.266 . . . . 0.0 110.367 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 1.8 t -44.72 -17.56 0.02 OUTLIER 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.958 0.885 . . . . 0.0 110.417 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' PHE . . . . . 0.614 ' CG ' ' N ' ' X' ' 7' ' ' THR . 13.5 p90 -117.24 -63.3 1.46 Allowed 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 113.469 -1.696 . . . . 0.0 112.35 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . 0.614 ' N ' ' CG ' ' X' ' 6' ' ' PHE . 5.7 t -78.37 6.25 8.8 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.797 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' X' ' 4' ' ' GLY . 15.4 m -61.92 -2.77 0.96 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.438 0.637 . . . . 0.0 110.079 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' X' ' 10' ' ' TYR . 0.0 OUTLIER -95.87 -63.35 1.16 Allowed 'General case' 0 C--N 1.309 -1.155 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.59 -179.298 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' X' ' 9' ' ' ASP . 0.3 OUTLIER -63.37 -31.19 72.28 Favored 'General case' 0 CA--C 1.514 -0.43 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' SER . . . . . . . . . . . . . 21.1 t -71.93 -40.1 68.97 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.78 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' LYS . . . . . 0.505 ' CB ' ' HZ2' ' X' ' 12' ' ' LYS . 0.0 OUTLIER -113.95 -80.87 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.874 179.765 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -147.9 -102.43 0.09 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-O 121.667 0.746 . . . . 0.0 109.987 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' LEU . . . . . 0.956 HD12 ' H ' ' X' ' 15' ' ' ASP . 2.4 tp -117.89 152.32 35.65 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 114.434 -1.257 . . . . 0.0 108.825 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' ASP . . . . . 0.956 ' H ' HD12 ' X' ' 14' ' ' LEU . 35.2 p-10 -112.91 53.02 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.011 0.434 . . . . 0.0 110.665 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' AIB . . . . . 0.638 HB23 HD11 ' X' ' 14' ' ' LEU 2.45 . . . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.625 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' ARG . . . . . 0.495 ' C ' ' H ' ' X' ' 19' ' ' ALA . 2.0 ptm180 -62.38 -29.25 70.34 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.416 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' ARG . . . . . 0.578 ' O ' ' HB3' ' X' ' 19' ' ' ALA . 0.0 OUTLIER -77.8 30.04 0.16 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' X' ' 18' ' ' ARG . . . 73.61 -55.07 0.68 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.923 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' GLN . . . . . 0.469 ' C ' ' N ' ' X' ' 22' ' ' PHE . 0.2 OUTLIER 161.38 -25.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . 0.542 ' CG ' HE22 ' X' ' 24' ' ' GLN . 0.2 OUTLIER -49.03 -15.47 0.1 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.68 178.682 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' X' ' 22' ' ' PHE . 0.1 OUTLIER -49.93 -37.9 33.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.853 179.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' VAL . . . . . 0.467 ' N ' ' CG ' ' X' ' 22' ' ' PHE . 30.7 t -56.51 -18.65 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.764 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' GLN . . . . . 0.542 HE22 ' CG ' ' X' ' 21' ' ' ASP . 0.1 OUTLIER -96.99 -17.62 19.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.418 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TRP . . . . . 0.532 ' CH2' ' O2 ' ' X' ' 103' ' ' PLM . 79.4 t90 -41.42 -53.19 3.42 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.625 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' LEU . . . . . 0.745 HD12 ' H ' ' X' ' 26' ' ' LEU . 0.0 OUTLIER -76.2 -11.07 59.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 -179.493 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' MET . . . . . 0.521 ' N ' ' O ' ' X' ' 24' ' ' GLN . 1.3 ttt -92.02 3.62 54.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.479 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' ASN . . . . . 0.457 ' CB ' ' O ' ' X' ' 27' ' ' MET . 4.2 t30 77.87 -18.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' THR . . . . . 0.429 ' O ' ' O ' ' X' ' 28' ' ' ASN . 2.5 m 55.11 105.09 0.01 OUTLIER 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.533 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.038 0 O-C-N 124.069 0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 101' ' ' GGL . . . . . 0.486 ' OE1' ' NZ ' ' X' ' 12' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 102' ' ' GGL . . . . . 0.564 ' C ' ' CD ' ' X' ' 102' ' ' GGL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 103' ' ' PLM . . . . . 0.532 ' O2 ' ' CH2' ' X' ' 25' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_