data_1tot_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 1tot _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.564 ' H ' HG12 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.499 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.419 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.435 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.544 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.544 ' H ' HG12 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' H ' HG12 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.598 ' HE1' HD11 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.575 ' H ' HG12 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.598 HD11 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 30' ' ' LEU . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.5 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG11 ' H ' ' A' ' 25' ' ' CYS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.582 ' H ' HG11 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.5 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.496 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.435 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.565 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.562 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.562 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 . . . . . 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.521 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.521 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.429 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.582 ' H ' HG12 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.594 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.594 ' H ' HG11 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' HG13 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.502 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.615 ' H ' HG11 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 25' ' ' CYS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.566 ' H ' HG11 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.409 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.606 ' H ' HG12 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 107.112 -1.44 . . . . 10.0 107.112 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' HE1' HD13 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.536 ' H ' HG12 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.551 HD13 ' HE1' ' A' ' 20' ' ' TRP . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.469 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.448 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.527 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.556 ' H ' HG11 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.527 HD13 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.425 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 105.183 -2.154 . . . . 10.0 105.183 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.584 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.615 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.615 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 106.709 -1.589 . . . . 10.0 106.709 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.547 HG13 ' H ' ' A' ' 25' ' ' CYS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.547 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 30' ' ' LEU . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.502 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 25' ' ' CYS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 . . . . . 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 N-CA-C 110.676 -0.97 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -156.79 159.05 37.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.567 1.183 . . . . 10.0 111.72 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -142.48 166.51 24.48 Favored 'General case' 0 CA--C 1.54 0.571 1 C-N-CA 132.745 4.418 . . . . 10.0 104.281 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -22.93 38.18 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 119.938 -1.726 . . . . 10.0 113.644 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.01 10.79 1.03 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.613 1.552 . . . . 10.0 113.524 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.42 158.07 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.11 1.764 . . . . 10.0 107.12 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.44 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.564 ' H ' HG12 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -130.2 131.62 45.66 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.72 145.91 15.27 Favored Glycine 0 CA--C 1.497 -1.084 0 N-CA-C 110.154 -1.178 . . . . 10.0 110.154 -171.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.34 1.55 0.84 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 126.084 1.697 . . . . 10.0 113.7 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.79 -45.85 0.01 OUTLIER Glycine 0 C--N 1.341 0.806 0 CA-C-N 120.831 1.651 . . . . 10.0 115.008 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -130.4 72.8 1.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.592 1.557 . . . . 10.0 107.034 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.087 -0.959 . . . . 10.0 110.544 -177.232 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.25 -0.74 . . . . 10.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -151.4 158.72 44.09 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.581 -0.952 . . . . 10.0 112.901 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -150.38 162.73 39.98 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 132.048 4.139 . . . . 10.0 104.2 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -23.2 58.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.65 -1.281 . . . . 10.0 113.812 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.15 7.75 1.19 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.186 1.357 . . . . 10.0 112.884 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.95 156.54 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.499 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.568 ' H ' HG12 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -132.38 127.32 35.2 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -149.8 147.08 16.99 Favored Glycine 0 CA--C 1.481 -2.076 0 N-CA-C 110.921 -0.872 . . . . 10.0 110.921 -173.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -138.57 -2.57 1.76 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 112.979 -1.611 . . . . 10.0 112.153 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.74 -59.7 0.01 OUTLIER Glycine 0 C--N 1.341 0.848 0 CA-C-N 120.98 1.718 . . . . 10.0 112.638 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.81 68.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.812 -1.551 . . . . 10.0 106.812 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.86 -1.067 . . . . 10.0 111.009 -178.884 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -153.8 156.0 36.88 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 118.753 1.277 . . . . 10.0 113.259 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -145.77 167.65 22.66 Favored 'General case' 0 CA--C 1.546 0.789 1 C-N-CA 133.129 4.571 . . . . 10.0 104.648 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -27.6 63.84 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.24 1.2 . . . . 10.0 114.24 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.16 16.3 1.18 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.079 1.309 . . . . 10.0 112.489 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.72 151.94 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.419 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.419 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.435 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.544 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.544 ' H ' HG12 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.621 ' HZ2' ' C ' ' A' ' 52' ' ' ASP . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -150.96 169.97 20.47 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.07 -65.44 0.22 Allowed Glycine 0 CA--C 1.498 -0.976 0 C-N-CA 120.125 -1.036 . . . . 10.0 113.581 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt 84.11 8.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.102 1.761 . . . . 10.0 112.376 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.85 -46.27 0.32 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.28 0.945 . . . . 10.0 114.36 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.68 42.15 2.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 105.5 -2.037 . . . . 10.0 105.5 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.621 ' C ' ' HZ2' ' A' ' 46' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 127.527 2.331 . . . . 10.0 112.651 -171.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 110.145 -1.182 . . . . 10.0 110.145 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -141.85 165.73 26.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.163 1.481 . . . . 10.0 110.596 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -153.96 -160.85 1.15 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.499 2.32 . . . . 10.0 107.151 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -42.36 79.79 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 119.77 -1.831 . . . . 10.0 111.388 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -154.17 23.13 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.373 1.869 . . . . 10.0 109.402 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.04 153.82 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.522 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' H ' HG12 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.522 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -130.86 119.49 22.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.96 142.04 13.43 Favored Glycine 0 CA--C 1.497 -1.069 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 -176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -143.23 4.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.198 1.175 . . . . 10.0 113.202 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.69 -46.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.891 0 CA-C-N 120.294 1.407 . . . . 10.0 114.309 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.61 74.56 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.376 -1.713 . . . . 10.0 106.376 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.998 -1.001 . . . . 10.0 110.471 -178.03 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.66 152.34 33.83 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.356 -1.673 . . . . 10.0 112.549 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.443 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 54.5 t0 -149.62 176.86 10.27 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 129.837 3.255 . . . . 10.0 107.463 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.443 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -52.34 -34.51 47.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.536 1.534 . . . . 10.0 114.854 -177.78 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.95 25.95 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.331 1.453 . . . . 10.0 109.022 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -138.78 151.33 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.598 ' HE1' HD11 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.575 HG12 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.575 ' H ' HG12 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.598 HD11 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -123.94 123.01 39.46 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.27 137.29 7.24 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 119.479 -1.343 . . . . 10.0 111.51 -173.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -133.2 -6.25 3.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 112.711 -1.745 . . . . 10.0 111.524 -172.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.51 -38.91 0.05 OUTLIER Glycine 0 CA--C 1.532 1.109 0 CA-C-N 120.456 1.48 . . . . 10.0 116.401 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -84.49 -16.98 40.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.225 1.513 . . . . 10.0 114.11 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.438 ' CG ' ' HZ3' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 C-N-CA 128.049 2.539 . . . . 10.0 107.589 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.591 -0.604 . . . . 10.0 111.591 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 168.84 24.49 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 120.891 -1.358 . . . . 10.0 112.891 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.64 170.56 20.54 Favored 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 133.069 4.547 . . . . 10.0 102.956 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -26.6 68.15 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.63 -1.294 . . . . 10.0 113.077 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.94 9.45 1.51 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.92 1.236 . . . . 10.0 112.92 177.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.42 155.45 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 30' ' ' LEU . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.5 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG11 ' H ' ' A' ' 25' ' ' CYS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.582 ' H ' HG11 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.5 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -126.5 117.22 22.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -136.0 139.69 10.93 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.804 -0.918 . . . . 10.0 110.804 -174.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 mt -139.4 5.26 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.108 -1.046 . . . . 10.0 112.739 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.84 -50.71 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 CA-C-N 120.992 1.723 . . . . 10.0 115.14 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.0 mt -120.83 83.19 2.03 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 125.266 1.427 . . . . 10.0 107.677 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.689 1.196 . . . . 10.0 111.57 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 111.249 -0.74 . . . . 10.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.05 158.97 43.88 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.379 -1.659 . . . . 10.0 113.558 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.447 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.9 t70 -148.55 -179.27 6.84 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 129.107 2.963 . . . . 10.0 107.088 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.447 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.14 -31.27 72.02 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.132 -0.98 . . . . 10.0 113.139 -177.5 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -151.47 17.96 0.72 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 10.0 110.984 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.34 152.77 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.496 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.518 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' H ' HG12 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.496 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -125.58 126.48 44.84 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -142.68 135.54 6.61 Favored Glycine 0 CA--C 1.5 -0.865 0 N-CA-C 110.273 -1.131 . . . . 10.0 110.273 -173.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.95 -33.25 3.58 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.149 -1.526 . . . . 10.0 111.618 -171.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.04 7.54 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 CA-C-O 118.056 -1.414 . . . . 10.0 115.79 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.98 54.07 0.98 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.398 1.599 . . . . 10.0 106.732 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.26 1.609 0 CA-C-O 116.963 -1.494 . . . . 10.0 111.349 -176.297 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 110.258 -1.137 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -136.38 166.41 23.53 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -159.89 168.49 25.64 Favored 'General case' 0 CA--C 1.536 0.437 1 C-N-CA 131.875 4.07 . . . . 10.0 104.965 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -32.62 7.24 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.985 1.846 . . . . 10.0 115.985 -176.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -162.29 25.64 0.11 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.958 2.103 . . . . 10.0 109.749 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.94 145.81 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.435 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.565 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.565 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -151.17 170.77 18.64 Favored 'General case' 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.49 -52.8 0.23 Allowed Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.529 171.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt 76.84 -1.21 2.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.547 1.939 . . . . 10.0 113.049 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.78 -22.13 2.79 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.641 1.11 . . . . 10.0 113.923 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 tp -145.63 34.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 126.641 1.976 . . . . 10.0 106.469 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.906 0 C-N-CA 125.861 1.665 . . . . 10.0 108.714 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.44 153.3 31.32 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 118.657 1.229 . . . . 10.0 111.918 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -140.74 169.77 17.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 131.686 3.994 . . . . 10.0 105.133 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -18.09 63.92 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.212 -1.555 . . . . 10.0 113.926 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.27 13.27 0.58 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.182 1.356 . . . . 10.0 112.174 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.03 154.38 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.562 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.562 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -126.13 130.75 51.65 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.95 141.08 9.09 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 -170.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.43 1.21 1.05 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 125.994 1.643 . . . . 10.0 114.147 -173.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.96 -45.97 0.02 OUTLIER Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.779 1.172 . . . . 10.0 115.156 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.68 72.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.782 -1.562 . . . . 10.0 106.782 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.259 1.602 0 CA-C-O 117.711 -1.138 . . . . 10.0 112.013 -177.061 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 CA-C-O 119.108 -0.829 . . . . 10.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -138.12 164.26 29.58 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.832 1.316 . . . . 10.0 112.67 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -137.33 -133.79 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 129.661 3.184 . . . . 10.0 104.799 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -116.62 -32.9 5.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 120.303 1.41 . . . . 10.0 108.674 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -137.8 2.65 2.42 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.749 1.22 . . . . 10.0 110.185 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.87 158.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.521 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.521 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -127.51 130.91 49.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -143.64 134.51 5.87 Favored Glycine 0 CA--C 1.509 -0.342 0 O-C-N 124.101 0.875 . . . . 10.0 112.174 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.28 -3.21 6.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 112.945 -1.627 . . . . 10.0 113.793 -174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.24 -41.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-O 117.443 -1.754 . . . . 10.0 116.699 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -125.06 82.45 2.06 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 120.298 2.049 . . . . 10.0 107.9 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.433 ' CG ' ' HZ3' ' A' ' 46' ' ' LYS . 7.8 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.977 1.311 . . . . 10.0 113.508 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -150.94 157.17 42.57 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.258 -1.142 . . . . 10.0 112.033 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -146.47 169.26 19.26 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 131.601 3.96 . . . . 10.0 104.803 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.64 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 119.668 -1.895 . . . . 10.0 113.361 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.33 7.46 1.01 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.92 1.236 . . . . 10.0 112.782 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -129.01 158.4 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.582 HG12 ' H ' ' A' ' 25' ' ' CYS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.582 ' H ' HG12 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -131.5 131.24 43.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.92 144.72 13.55 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 109.329 -1.509 . . . . 10.0 109.329 -173.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.91 -6.12 0.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 125.554 1.385 . . . . 10.0 113.755 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.73 -37.23 0.03 OUTLIER Glycine 0 C--N 1.333 0.39 0 CA-C-N 120.876 1.671 . . . . 10.0 115.297 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.6 mt -136.58 64.25 1.55 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.209 -1.774 . . . . 10.0 106.209 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.893 -179.374 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.21 162.22 40.89 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.379 1.089 . . . . 10.0 113.695 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -156.06 -162.75 1.34 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.736 2.814 . . . . 10.0 108.367 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -45.03 77.88 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 119.66 -1.9 . . . . 10.0 111.053 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -149.72 21.94 0.9 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.426 1.491 . . . . 10.0 109.827 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.85 149.55 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 HG13 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.442 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.594 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.594 ' H ' HG11 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' HB3' HG13 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -130.91 129.69 42.54 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -138.62 137.49 8.76 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -144.94 7.64 1.22 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 125.895 1.585 . . . . 10.0 113.247 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.9 -76.88 0.03 OUTLIER Glycine 0 C--N 1.339 0.748 0 CA-C-N 120.576 1.534 . . . . 10.0 113.176 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.02 61.16 6.19 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 105.031 -2.211 . . . . 10.0 105.031 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--O 1.244 0.803 0 O-C-N 124.922 1.389 . . . . 10.0 112.859 -171.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.472 ' H1 ' ' CG ' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 109.599 -1.4 . . . . 10.0 109.599 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.433 ' NE2' HH22 ' A' ' 19' ' ' ARG . 24.5 pt20 -145.68 159.15 43.58 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.21 1.505 . . . . 10.0 114.836 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -139.11 -169.74 2.72 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.295 3.438 . . . . 10.0 107.738 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -65.72 -35.67 81.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.392 1.877 . . . . 10.0 111.91 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -154.27 12.2 0.41 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.828 1.651 . . . . 10.0 110.817 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -128.37 153.79 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.502 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.615 ' H ' HG11 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.472 ' CG ' ' H1 ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.402 ' HZ3' ' CG ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -132.64 127.79 35.67 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.26 147.47 19.23 Favored Glycine 0 CA--C 1.488 -1.634 0 N-CA-C 109.128 -1.589 . . . . 10.0 109.128 -174.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -1.59 0.31 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 125.779 1.517 . . . . 10.0 113.31 -174.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.73 -42.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 CA-C-N 120.142 1.337 . . . . 10.0 114.894 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -129.15 53.34 1.89 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.497 -1.668 . . . . 10.0 106.497 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' CG ' ' HZ3' ' A' ' 46' ' ' LYS . 9.7 t70 . . . . . 0 C--O 1.254 1.336 0 O-C-N 125.127 1.517 . . . . 10.0 112.096 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.464 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.99 152.87 31.89 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 119.602 1.701 . . . . 10.0 113.723 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -141.38 164.52 30.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 131.445 3.898 . . . . 10.0 104.803 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -21.44 63.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.385 1.448 . . . . 10.0 114.518 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.53 5.64 1.23 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 120.049 1.295 . . . . 10.0 112.978 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -128.38 155.09 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG11 ' H ' ' A' ' 25' ' ' CYS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.566 ' H ' HG11 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -129.66 128.47 42.66 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -148.86 143.55 11.08 Favored Glycine 0 CA--C 1.497 -1.077 0 N-CA-C 111.983 -0.447 . . . . 10.0 111.983 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -140.12 -16.86 0.95 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 126.323 1.837 . . . . 10.0 113.518 -172.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.23 -51.9 0.03 OUTLIER Glycine 0 C--N 1.342 0.908 0 CA-C-N 121.151 1.796 . . . . 10.0 113.604 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.59 74.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.329 -1.73 . . . . 10.0 106.329 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 C--O 1.259 1.587 0 CA-C-O 115.795 -2.05 . . . . 10.0 109.744 -178.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -151.08 149.95 30.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.923 -1.339 . . . . 10.0 112.926 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -145.74 158.3 43.87 Favored 'General case' 0 CA--C 1.538 0.485 1 C-N-CA 131.866 4.066 . . . . 10.0 104.417 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -19.07 10.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.951 -1.718 . . . . 10.0 113.914 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.8 10.64 0.94 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 121.587 1.994 . . . . 10.0 111.571 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -133.72 154.06 37.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.408 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.408 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.606 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.606 ' H ' HG12 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -131.95 135.76 46.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.3 146.77 16.21 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 109.952 -1.259 . . . . 10.0 109.952 -171.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 -19.3 0.49 Allowed 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 126.339 1.846 . . . . 10.0 114.187 -175.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.74 -37.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 CA-C-O 118.138 -1.368 . . . . 10.0 115.111 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -134.37 61.22 1.68 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.968 1.384 . . . . 10.0 107.811 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--O 1.257 1.496 0 CA-C-O 117.405 -1.284 . . . . 10.0 112.173 -178.579 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 N-CA-C 110.236 -1.145 . . . . 10.0 110.236 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.31 164.03 36.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.748 1.774 . . . . 10.0 112.191 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -156.56 172.22 18.94 Favored 'General case' 0 C--O 1.241 0.628 1 C-N-CA 133.119 4.567 . . . . 10.0 103.382 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -24.45 66.56 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.731 -1.856 . . . . 10.0 112.797 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.25 17.54 1.07 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.477 1.944 . . . . 10.0 113.033 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.23 152.26 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 125.682 1.593 . . . . 10.0 107.112 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' HE1' HD13 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.536 HG12 ' H ' ' A' ' 25' ' ' CYS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.536 ' H ' HG12 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.551 HD13 ' HE1' ' A' ' 20' ' ' TRP . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -123.81 118.16 26.52 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.71 143.14 13.43 Favored Glycine 0 CA--C 1.503 -0.691 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 -175.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -144.22 1.75 1.11 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.842 1.554 . . . . 10.0 112.503 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.51 -38.53 0.06 OUTLIER Glycine 0 C--N 1.342 0.867 0 CA-C-N 120.715 1.598 . . . . 10.0 115.77 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.01 -16.68 34.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.233 1.516 . . . . 10.0 114.158 -174.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 127.92 2.488 . . . . 10.0 106.855 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.41 169.1 20.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.298 -1.119 . . . . 10.0 113.451 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -157.06 160.7 39.18 Favored 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 135.673 5.589 . . . . 10.0 102.445 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -22.5 47.4 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 116.801 -1.571 . . . . 10.0 114.271 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.15 2.95 1.34 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.406 1.457 . . . . 10.0 113.557 177.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.84 158.83 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.448 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.448 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.527 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG11 ' H ' ' A' ' 25' ' ' CYS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.556 ' H ' HG11 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.527 HD13 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -127.61 118.87 24.71 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 126.98 4.7 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -132.69 10.52 4.34 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 125.62 1.424 . . . . 10.0 112.342 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.44 -9.17 0.02 OUTLIER Glycine 0 C--N 1.34 0.766 0 CA-C-O 115.198 -3.001 . . . . 10.0 118.138 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 tp -141.14 -3.5 1.21 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.656 2.728 . . . . 10.0 116.805 -173.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 C-N-CA 127.069 2.147 . . . . 10.0 106.374 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -146.99 161.53 40.6 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.182 -1.187 . . . . 10.0 111.468 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 22.2 t70 -141.82 -158.65 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.507 2.323 . . . . 10.0 108.021 -177.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -70.18 -47.32 62.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.776 1.626 . . . . 10.0 110.031 177.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -145.44 16.93 1.5 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.922 0.889 . . . . 10.0 110.902 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.4 156.15 34.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 127.233 2.213 . . . . 10.0 105.183 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.584 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.615 HG13 ' H ' ' A' ' 25' ' ' CYS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.615 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.584 HD13 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -126.19 109.57 12.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -126.65 136.44 9.46 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 -174.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -142.36 6.6 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.116 1.366 . . . . 10.0 112.259 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 -23.35 0.02 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-O 115.835 -2.647 . . . . 10.0 117.289 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.1 mt -126.25 -14.59 5.91 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.333 2.566 . . . . 10.0 116.47 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 N-CA-C 105.756 -1.942 . . . . 10.0 105.756 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 109.936 -1.266 . . . . 10.0 109.936 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.569 ' NE2' HH22 ' A' ' 19' ' ' ARG . 18.5 pt20 -151.92 158.49 43.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -143.76 178.74 7.61 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.832 3.653 . . . . 10.0 107.584 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -34.29 67.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 10.0 113.448 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -151.9 14.84 0.64 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.492 1.117 . . . . 10.0 110.737 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.33 147.2 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.832 1.653 . . . . 10.0 106.709 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.401 ' CG ' ' H ' ' A' ' 15' ' ' HIS . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' H ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.569 HH22 ' NE2' ' A' ' 2' ' ' GLN . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.547 HG13 ' H ' ' A' ' 25' ' ' CYS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.547 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -132.07 134.07 45.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.34 144.74 13.16 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 108.929 -1.669 . . . . 10.0 108.929 -172.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.43 -22.11 0.48 Allowed 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.84 -39.09 0.08 OUTLIER Glycine 0 N--CA 1.468 0.821 0 CA-C-N 119.911 1.232 . . . . 10.0 115.233 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.0 mt -135.75 69.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.976 -1.49 . . . . 10.0 106.976 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 117.164 -1.398 . . . . 10.0 111.785 -179.112 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.037 0 CA-C-O 122.08 0.822 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.1 163.27 37.45 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.403 1.881 . . . . 10.0 109.704 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.411 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.8 t70 -151.37 -162.78 1.61 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.247 2.219 . . . . 10.0 106.724 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -65.4 -39.49 92.25 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.513 1.506 . . . . 10.0 111.894 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -156.75 19.65 0.32 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.794 1.637 . . . . 10.0 110.022 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -127.46 157.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 30' ' ' LEU . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.502 ' HE1' ' CD1' ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 25' ' ' CYS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' HA ' ' SG ' ' A' ' 9' ' ' CYS . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' HZ1' ' CG ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -130.89 114.31 15.12 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.8 141.84 13.2 Favored Glycine 0 CA--C 1.497 -1.05 0 N-CA-C 110.776 -0.93 . . . . 10.0 110.776 -174.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -141.02 8.14 2.06 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 125.356 1.268 . . . . 10.0 111.711 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.77 -67.63 0.02 OUTLIER Glycine 0 C--N 1.341 0.824 0 CA-C-N 119.623 1.102 . . . . 10.0 111.959 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.22 61.38 2.41 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' CG ' ' HZ1' ' A' ' 46' ' ' LYS . 9.7 t70 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 117.738 -1.125 . . . . 10.0 111.419 -177.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 31' ' ' CYS . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE1' HD12 ' A' ' 32' ' ' ILE . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.783 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.751 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 16' ' ' VAL . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 20' ' ' TRP . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.783 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.404 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.813 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.745 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.439 HD13 ' NE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.813 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.7 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.78 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.831 HG13 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.831 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 34' ' ' CYS . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD13 ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' HD22 ' A' ' 30' ' ' LEU . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.804 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 HD11 ' A' ' 32' ' ' ILE . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.599 ' HE1' HD12 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.791 ' H ' HG13 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.599 HD12 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.775 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.528 ' HE1' HD13 ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.836 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.676 ' H ' HG13 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.836 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.428 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 13' ' ' LYS . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.825 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 HD13 ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.825 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.688 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 34' ' ' CYS . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 30' ' ' LEU . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.789 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.425 HG22 HD11 ' A' ' 32' ' ' ILE . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.452 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.794 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.452 HD12 ' HE1' ' A' ' 20' ' ' TRP . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.785 ' CB ' HG11 ' A' ' 24' ' ' VAL . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 . . . . . 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 32' ' ' ILE . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.68 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' HE1' ' A' ' 20' ' ' TRP . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' CB ' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.808 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 32' ' ' ILE . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.406 ' HE1' HD12 ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 34' ' ' CYS . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HB3' HG11 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 18' ' ' THR . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.827 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 32' ' ' ILE . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.768 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.602 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 18' ' ' THR . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.768 ' CB ' HG11 ' A' ' 24' ' ' VAL . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.709 ' H ' HG13 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.669 ' H ' HG13 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 18' ' ' THR . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.823 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 107.112 -1.44 . . . . 10.0 107.112 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.68 HG22 HD11 ' A' ' 32' ' ' ILE . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.53 ' HE1' HD12 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.68 HD11 HG22 ' A' ' 18' ' ' THR . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' ILE . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.697 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.815 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 105.183 -2.154 . . . . 10.0 105.183 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 HD11 ' A' ' 32' ' ' ILE . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.611 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.649 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.611 HD12 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.771 ' CB ' HG11 ' A' ' 24' ' ' VAL . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 106.709 -1.589 . . . . 10.0 106.709 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB3' ' CD ' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' ILE . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' CD ' ' HB3' ' A' ' 7' ' ' TYR . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.796 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HG22 ' A' ' 18' ' ' THR . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.821 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.479 ' HE1' HD13 ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.788 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.708 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.788 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 . . . . . 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 N-CA-C 110.676 -0.97 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -156.79 159.05 37.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.567 1.183 . . . . 10.0 111.72 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -142.48 166.51 24.48 Favored 'General case' 0 CA--C 1.54 0.571 1 C-N-CA 132.745 4.418 . . . . 10.0 104.281 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -22.93 38.18 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 119.938 -1.726 . . . . 10.0 113.644 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.01 10.79 1.03 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.613 1.552 . . . . 10.0 113.524 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.42 158.07 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.11 1.764 . . . . 10.0 107.12 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 31' ' ' CYS . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.594 HG23 ' CA ' ' A' ' 48' ' ' GLY . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE1' HD12 ' A' ' 32' ' ' ILE . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.783 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.751 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 16' ' ' VAL . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 20' ' ' TRP . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.783 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -130.2 131.62 45.66 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.594 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -146.72 145.91 15.27 Favored Glycine 0 CA--C 1.497 -1.084 0 N-CA-C 110.154 -1.178 . . . . 10.0 110.154 -171.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.34 1.55 0.84 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 126.084 1.697 . . . . 10.0 113.7 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.79 -45.85 0.01 OUTLIER Glycine 0 C--N 1.341 0.806 0 CA-C-N 120.831 1.651 . . . . 10.0 115.008 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -130.4 72.8 1.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.592 1.557 . . . . 10.0 107.034 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.585 ' HA ' HG21 ' A' ' 18' ' ' THR . 2.7 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.087 -0.959 . . . . 10.0 110.544 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.25 -0.74 . . . . 10.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -151.4 158.72 44.09 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.581 -0.952 . . . . 10.0 112.901 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -150.38 162.73 39.98 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 132.048 4.139 . . . . 10.0 104.2 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -23.2 58.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.65 -1.281 . . . . 10.0 113.812 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.15 7.75 1.19 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.186 1.357 . . . . 10.0 112.884 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.95 156.54 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.608 HG23 ' CA ' ' A' ' 48' ' ' GLY . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.813 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.745 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.439 HD13 ' NE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.813 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -132.38 127.32 35.2 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -149.8 147.08 16.99 Favored Glycine 0 CA--C 1.481 -2.076 0 N-CA-C 110.921 -0.872 . . . . 10.0 110.921 -173.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -138.57 -2.57 1.76 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 112.979 -1.611 . . . . 10.0 112.153 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.74 -59.7 0.01 OUTLIER Glycine 0 C--N 1.341 0.848 0 CA-C-N 120.98 1.718 . . . . 10.0 112.638 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.81 68.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.812 -1.551 . . . . 10.0 106.812 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' HG21 ' A' ' 18' ' ' THR . 1.4 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.86 -1.067 . . . . 10.0 111.009 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -153.8 156.0 36.88 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 118.753 1.277 . . . . 10.0 113.259 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -145.77 167.65 22.66 Favored 'General case' 0 CA--C 1.546 0.789 1 C-N-CA 133.129 4.571 . . . . 10.0 104.648 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -27.6 63.84 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.24 1.2 . . . . 10.0 114.24 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.16 16.3 1.18 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.079 1.309 . . . . 10.0 112.489 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.72 151.94 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.7 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.78 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -150.96 169.97 20.47 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.07 -65.44 0.22 Allowed Glycine 0 CA--C 1.498 -0.976 0 C-N-CA 120.125 -1.036 . . . . 10.0 113.581 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt 84.11 8.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.102 1.761 . . . . 10.0 112.376 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.85 -46.27 0.32 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.28 0.945 . . . . 10.0 114.36 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.68 42.15 2.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 105.5 -2.037 . . . . 10.0 105.5 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 127.527 2.331 . . . . 10.0 112.651 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 110.145 -1.182 . . . . 10.0 110.145 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -141.85 165.73 26.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.163 1.481 . . . . 10.0 110.596 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 20.8 t70 -153.96 -160.85 1.15 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.499 2.32 . . . . 10.0 107.151 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -68.25 -42.36 79.79 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 119.77 -1.831 . . . . 10.0 111.388 -178.247 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -154.17 23.13 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.373 1.869 . . . . 10.0 109.402 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.04 153.82 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.694 HG23 ' HA2' ' A' ' 48' ' ' GLY . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.831 HG13 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.831 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 34' ' ' CYS . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD13 ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' HD22 ' A' ' 30' ' ' LEU . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.804 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -130.86 119.49 22.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.694 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -131.96 142.04 13.43 Favored Glycine 0 CA--C 1.497 -1.069 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -143.23 4.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.198 1.175 . . . . 10.0 113.202 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.69 -46.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.891 0 CA-C-N 120.294 1.407 . . . . 10.0 114.309 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.61 74.56 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.376 -1.713 . . . . 10.0 106.376 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.4 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.998 -1.001 . . . . 10.0 110.471 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.66 152.34 33.83 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.356 -1.673 . . . . 10.0 112.549 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.446 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 54.5 t0 -149.62 176.86 10.27 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 129.837 3.255 . . . . 10.0 107.463 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -52.34 -34.51 47.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.536 1.534 . . . . 10.0 114.854 -177.78 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.95 25.95 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.331 1.453 . . . . 10.0 109.022 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -138.78 151.33 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.628 HG23 ' HA2' ' A' ' 48' ' ' GLY . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' HE1' HD12 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.791 ' H ' HG13 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.599 HD12 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.775 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -123.94 123.01 39.46 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -144.27 137.29 7.24 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 119.479 -1.343 . . . . 10.0 111.51 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD22 ' C ' ' A' ' 48' ' ' GLY . 3.9 mm? -133.2 -6.25 3.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 112.711 -1.745 . . . . 10.0 111.524 -172.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.51 -38.91 0.05 OUTLIER Glycine 0 CA--C 1.532 1.109 0 CA-C-N 120.456 1.48 . . . . 10.0 116.401 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -84.49 -16.98 40.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.225 1.513 . . . . 10.0 114.11 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 C-N-CA 128.049 2.539 . . . . 10.0 107.589 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.591 -0.604 . . . . 10.0 111.591 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 168.84 24.49 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 120.891 -1.358 . . . . 10.0 112.891 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.64 170.56 20.54 Favored 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 133.069 4.547 . . . . 10.0 102.956 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -26.6 68.15 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.63 -1.294 . . . . 10.0 113.077 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.94 9.45 1.51 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.92 1.236 . . . . 10.0 112.92 177.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.42 155.45 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 48' ' ' GLY . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' HE1' HD13 ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.836 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.676 ' H ' HG13 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.836 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -126.5 117.22 22.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -136.0 139.69 10.93 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.804 -0.918 . . . . 10.0 110.804 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 mt -139.4 5.26 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.108 -1.046 . . . . 10.0 112.739 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.84 -50.71 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 CA-C-N 120.992 1.723 . . . . 10.0 115.14 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.0 mt -120.83 83.19 2.03 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 125.266 1.427 . . . . 10.0 107.677 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.689 1.196 . . . . 10.0 111.57 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 111.249 -0.74 . . . . 10.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.05 158.97 43.88 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.379 -1.659 . . . . 10.0 113.558 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.9 t70 -148.55 -179.27 6.84 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 129.107 2.963 . . . . 10.0 107.088 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.498 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.14 -31.27 72.02 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.132 -0.98 . . . . 10.0 113.139 -177.5 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -151.47 17.96 0.72 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 10.0 110.984 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.34 152.77 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 13' ' ' LYS . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 ' HA2' ' A' ' 48' ' ' GLY . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.825 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 HD13 ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.825 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -125.58 126.48 44.84 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.711 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -142.68 135.54 6.61 Favored Glycine 0 CA--C 1.5 -0.865 0 N-CA-C 110.273 -1.131 . . . . 10.0 110.273 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.95 -33.25 3.58 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.149 -1.526 . . . . 10.0 111.618 -171.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.04 7.54 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 CA-C-O 118.056 -1.414 . . . . 10.0 115.79 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.98 54.07 0.98 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.398 1.599 . . . . 10.0 106.732 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.26 1.609 0 CA-C-O 116.963 -1.494 . . . . 10.0 111.349 -176.297 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 110.258 -1.137 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -136.38 166.41 23.53 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -159.89 168.49 25.64 Favored 'General case' 0 CA--C 1.536 0.437 1 C-N-CA 131.875 4.07 . . . . 10.0 104.965 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -32.62 7.24 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.985 1.846 . . . . 10.0 115.985 -176.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -162.29 25.64 0.11 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.958 2.103 . . . . 10.0 109.749 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.94 145.81 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.688 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 34' ' ' CYS . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 30' ' ' LEU . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.789 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -151.17 170.77 18.64 Favored 'General case' 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.49 -52.8 0.23 Allowed Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.529 171.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt 76.84 -1.21 2.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.547 1.939 . . . . 10.0 113.049 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.78 -22.13 2.79 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.641 1.11 . . . . 10.0 113.923 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 tp -145.63 34.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 126.641 1.976 . . . . 10.0 106.469 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.906 0 C-N-CA 125.861 1.665 . . . . 10.0 108.714 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.44 153.3 31.32 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 118.657 1.229 . . . . 10.0 111.918 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -140.74 169.77 17.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 131.686 3.994 . . . . 10.0 105.133 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -18.09 63.92 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.212 -1.555 . . . . 10.0 113.926 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.27 13.27 0.58 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.182 1.356 . . . . 10.0 112.174 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.03 154.38 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.625 HG23 ' HA2' ' A' ' 48' ' ' GLY . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.452 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.794 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.452 HD12 ' HE1' ' A' ' 20' ' ' TRP . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.785 ' CB ' HG11 ' A' ' 24' ' ' VAL . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -126.13 130.75 51.65 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.625 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -146.95 141.08 9.09 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.43 1.21 1.05 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 125.994 1.643 . . . . 10.0 114.147 -173.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.96 -45.97 0.02 OUTLIER Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.779 1.172 . . . . 10.0 115.156 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.68 72.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.782 -1.562 . . . . 10.0 106.782 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' HG21 ' A' ' 18' ' ' THR . 3.4 t70 . . . . . 0 C--O 1.259 1.602 0 CA-C-O 117.711 -1.138 . . . . 10.0 112.013 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 CA-C-O 119.108 -0.829 . . . . 10.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -138.12 164.26 29.58 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.832 1.316 . . . . 10.0 112.67 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -137.33 -133.79 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 129.661 3.184 . . . . 10.0 104.799 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -116.62 -32.9 5.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 120.303 1.41 . . . . 10.0 108.674 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -137.8 2.65 2.42 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.749 1.22 . . . . 10.0 110.185 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.87 158.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.657 HG23 ' CA ' ' A' ' 48' ' ' GLY . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' HE1' ' A' ' 20' ' ' TRP . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -127.51 130.91 49.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.657 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -143.64 134.51 5.87 Favored Glycine 0 CA--C 1.509 -0.342 0 O-C-N 124.101 0.875 . . . . 10.0 112.174 -172.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.28 -3.21 6.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 112.945 -1.627 . . . . 10.0 113.793 -174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.24 -41.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-O 117.443 -1.754 . . . . 10.0 116.699 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -125.06 82.45 2.06 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 120.298 2.049 . . . . 10.0 107.9 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' HA ' HG21 ' A' ' 18' ' ' THR . 7.8 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.977 1.311 . . . . 10.0 113.508 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -150.94 157.17 42.57 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.258 -1.142 . . . . 10.0 112.033 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -146.47 169.26 19.26 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 131.601 3.96 . . . . 10.0 104.803 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.64 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 119.668 -1.895 . . . . 10.0 113.361 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.33 7.46 1.01 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.92 1.236 . . . . 10.0 112.782 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -129.01 158.4 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 52' ' ' ASP . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' CB ' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.808 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -131.5 131.24 43.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -144.92 144.72 13.55 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 109.329 -1.509 . . . . 10.0 109.329 -173.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.91 -6.12 0.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 125.554 1.385 . . . . 10.0 113.755 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.73 -37.23 0.03 OUTLIER Glycine 0 C--N 1.333 0.39 0 CA-C-N 120.876 1.671 . . . . 10.0 115.297 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.6 mt -136.58 64.25 1.55 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.209 -1.774 . . . . 10.0 106.209 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 18' ' ' THR . 6.6 t70 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.893 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.21 162.22 40.89 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.379 1.089 . . . . 10.0 113.695 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -156.06 -162.75 1.34 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.736 2.814 . . . . 10.0 108.367 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -45.03 77.88 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 119.66 -1.9 . . . . 10.0 111.053 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -149.72 21.94 0.9 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.426 1.491 . . . . 10.0 109.827 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.85 149.55 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.615 HG23 ' HA2' ' A' ' 48' ' ' GLY . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.406 ' HE1' HD12 ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 34' ' ' CYS . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HB3' HG11 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 18' ' ' THR . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.827 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -130.91 129.69 42.54 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.615 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -138.62 137.49 8.76 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 -174.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -144.94 7.64 1.22 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 125.895 1.585 . . . . 10.0 113.247 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.9 -76.88 0.03 OUTLIER Glycine 0 C--N 1.339 0.748 0 CA-C-N 120.576 1.534 . . . . 10.0 113.176 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.02 61.16 6.19 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 105.031 -2.211 . . . . 10.0 105.031 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.543 ' HA ' HG21 ' A' ' 18' ' ' THR . 20.0 t70 . . . . . 0 C--O 1.244 0.803 0 O-C-N 124.922 1.389 . . . . 10.0 112.859 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 109.599 -1.4 . . . . 10.0 109.599 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.491 ' NE2' HH22 ' A' ' 19' ' ' ARG . 24.5 pt20 -145.68 159.15 43.58 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.21 1.505 . . . . 10.0 114.836 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -139.11 -169.74 2.72 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.295 3.438 . . . . 10.0 107.738 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -65.72 -35.67 81.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.392 1.877 . . . . 10.0 111.91 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -154.27 12.2 0.41 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.828 1.651 . . . . 10.0 110.817 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -128.37 153.79 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.555 HG21 ' HA ' ' A' ' 52' ' ' ASP . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.768 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.602 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 18' ' ' THR . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.768 ' CB ' HG11 ' A' ' 24' ' ' VAL . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -132.64 127.79 35.67 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -139.26 147.47 19.23 Favored Glycine 0 CA--C 1.488 -1.634 0 N-CA-C 109.128 -1.589 . . . . 10.0 109.128 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -1.59 0.31 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 125.779 1.517 . . . . 10.0 113.31 -174.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.73 -42.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 CA-C-N 120.142 1.337 . . . . 10.0 114.894 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -129.15 53.34 1.89 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.497 -1.668 . . . . 10.0 106.497 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.555 ' HA ' HG21 ' A' ' 18' ' ' THR . 9.7 t70 . . . . . 0 C--O 1.254 1.336 0 O-C-N 125.127 1.517 . . . . 10.0 112.096 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.464 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.99 152.87 31.89 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 119.602 1.701 . . . . 10.0 113.723 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -141.38 164.52 30.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 131.445 3.898 . . . . 10.0 104.803 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -21.44 63.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.385 1.448 . . . . 10.0 114.518 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.53 5.64 1.23 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 120.049 1.295 . . . . 10.0 112.978 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -128.38 155.09 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' CA ' ' A' ' 48' ' ' GLY . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.709 ' H ' HG13 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -129.66 128.47 42.66 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.64 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -148.86 143.55 11.08 Favored Glycine 0 CA--C 1.497 -1.077 0 N-CA-C 111.983 -0.447 . . . . 10.0 111.983 -172.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -140.12 -16.86 0.95 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 126.323 1.837 . . . . 10.0 113.518 -172.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.23 -51.9 0.03 OUTLIER Glycine 0 C--N 1.342 0.908 0 CA-C-N 121.151 1.796 . . . . 10.0 113.604 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.59 74.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.329 -1.73 . . . . 10.0 106.329 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.603 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.8 t70 . . . . . 0 C--O 1.259 1.587 0 CA-C-O 115.795 -2.05 . . . . 10.0 109.744 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -151.08 149.95 30.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.923 -1.339 . . . . 10.0 112.926 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -145.74 158.3 43.87 Favored 'General case' 0 CA--C 1.538 0.485 1 C-N-CA 131.866 4.066 . . . . 10.0 104.417 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -19.07 10.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.951 -1.718 . . . . 10.0 113.914 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.8 10.64 0.94 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 121.587 1.994 . . . . 10.0 111.571 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -133.72 154.06 37.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' HA ' ' A' ' 52' ' ' ASP . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' H ' HG13 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 18' ' ' THR . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.823 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -131.95 135.76 46.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.56 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -150.3 146.77 16.21 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 109.952 -1.259 . . . . 10.0 109.952 -171.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 -19.3 0.49 Allowed 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 126.339 1.846 . . . . 10.0 114.187 -175.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.74 -37.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 CA-C-O 118.138 -1.368 . . . . 10.0 115.111 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -134.37 61.22 1.68 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.968 1.384 . . . . 10.0 107.811 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.615 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.1 t70 . . . . . 0 C--O 1.257 1.496 0 CA-C-O 117.405 -1.284 . . . . 10.0 112.173 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 N-CA-C 110.236 -1.145 . . . . 10.0 110.236 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.31 164.03 36.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.748 1.774 . . . . 10.0 112.191 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -156.56 172.22 18.94 Favored 'General case' 0 C--O 1.241 0.628 1 C-N-CA 133.119 4.567 . . . . 10.0 103.382 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -24.45 66.56 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.731 -1.856 . . . . 10.0 112.797 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.25 17.54 1.07 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.477 1.944 . . . . 10.0 113.033 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.23 152.26 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 125.682 1.593 . . . . 10.0 107.112 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.68 HG22 HD11 ' A' ' 32' ' ' ILE . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.53 ' HE1' HD12 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.68 HD11 HG22 ' A' ' 18' ' ' THR . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -123.81 118.16 26.52 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.611 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -139.71 143.14 13.43 Favored Glycine 0 CA--C 1.503 -0.691 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 -175.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -144.22 1.75 1.11 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.842 1.554 . . . . 10.0 112.503 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.51 -38.53 0.06 OUTLIER Glycine 0 C--N 1.342 0.867 0 CA-C-N 120.715 1.598 . . . . 10.0 115.77 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.01 -16.68 34.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.233 1.516 . . . . 10.0 114.158 -174.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 127.92 2.488 . . . . 10.0 106.855 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.41 169.1 20.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.298 -1.119 . . . . 10.0 113.451 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -157.06 160.7 39.18 Favored 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 135.673 5.589 . . . . 10.0 102.445 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -22.5 47.4 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 116.801 -1.571 . . . . 10.0 114.271 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.15 2.95 1.34 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.406 1.457 . . . . 10.0 113.557 177.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.84 158.83 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.626 HG23 ' HA2' ' A' ' 48' ' ' GLY . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.697 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.815 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -127.61 118.87 24.71 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -132.49 126.98 4.7 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -174.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -132.69 10.52 4.34 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 125.62 1.424 . . . . 10.0 112.342 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.44 -9.17 0.02 OUTLIER Glycine 0 C--N 1.34 0.766 0 CA-C-O 115.198 -3.001 . . . . 10.0 118.138 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 tp -141.14 -3.5 1.21 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.656 2.728 . . . . 10.0 116.805 -173.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 C-N-CA 127.069 2.147 . . . . 10.0 106.374 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -146.99 161.53 40.6 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.182 -1.187 . . . . 10.0 111.468 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.438 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 22.2 t70 -141.82 -158.65 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.507 2.323 . . . . 10.0 108.021 -177.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -70.18 -47.32 62.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.776 1.626 . . . . 10.0 110.031 177.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -145.44 16.93 1.5 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.922 0.889 . . . . 10.0 110.902 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.4 156.15 34.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 127.233 2.213 . . . . 10.0 105.183 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.603 HG23 ' HA2' ' A' ' 48' ' ' GLY . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.611 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.649 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.611 HD12 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.771 ' CB ' HG11 ' A' ' 24' ' ' VAL . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -126.19 109.57 12.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -126.65 136.44 9.46 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -142.36 6.6 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.116 1.366 . . . . 10.0 112.259 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 -23.35 0.02 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-O 115.835 -2.647 . . . . 10.0 117.289 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.1 mt -126.25 -14.59 5.91 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.333 2.566 . . . . 10.0 116.47 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 N-CA-C 105.756 -1.942 . . . . 10.0 105.756 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' H3 ' ' CG ' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 109.936 -1.266 . . . . 10.0 109.936 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.604 ' NE2' HH22 ' A' ' 19' ' ' ARG . 18.5 pt20 -151.92 158.49 43.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -143.76 178.74 7.61 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.832 3.653 . . . . 10.0 107.584 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -34.29 67.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 10.0 113.448 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -151.9 14.84 0.64 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.492 1.117 . . . . 10.0 110.737 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.33 147.2 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.832 1.653 . . . . 10.0 106.709 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB3' ' CD ' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' HA ' ' A' ' 52' ' ' ASP . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.604 HH22 ' NE2' ' A' ' 2' ' ' GLN . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.796 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' CG ' ' H3 ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HG22 ' A' ' 18' ' ' THR . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.821 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -132.07 134.07 45.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.646 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -146.34 144.74 13.16 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 108.929 -1.669 . . . . 10.0 108.929 -172.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.43 -22.11 0.48 Allowed 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.84 -39.09 0.08 OUTLIER Glycine 0 N--CA 1.468 0.821 0 CA-C-N 119.911 1.232 . . . . 10.0 115.233 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.0 mt -135.75 69.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.976 -1.49 . . . . 10.0 106.976 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.684 ' HA ' HG21 ' A' ' 18' ' ' THR . 3.2 t70 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 117.164 -1.398 . . . . 10.0 111.785 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.037 0 CA-C-O 122.08 0.822 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.1 163.27 37.45 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.403 1.881 . . . . 10.0 109.704 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.8 t70 -151.37 -162.78 1.61 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.247 2.219 . . . . 10.0 106.724 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -65.4 -39.49 92.25 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.513 1.506 . . . . 10.0 111.894 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -156.75 19.65 0.32 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.794 1.637 . . . . 10.0 110.022 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -127.46 157.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 ' CA ' ' A' ' 48' ' ' GLY . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.479 ' HE1' HD13 ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.788 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.708 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.788 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -130.89 114.31 15.12 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.635 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -131.8 141.84 13.2 Favored Glycine 0 CA--C 1.497 -1.05 0 N-CA-C 110.776 -0.93 . . . . 10.0 110.776 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -141.02 8.14 2.06 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 125.356 1.268 . . . . 10.0 111.711 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.77 -67.63 0.02 OUTLIER Glycine 0 C--N 1.341 0.824 0 CA-C-N 119.623 1.102 . . . . 10.0 111.959 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.22 61.38 2.41 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 117.738 -1.125 . . . . 10.0 111.419 -177.495 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.544 0.72 0 N-CA-C 107.12 -1.437 . . . . 10.0 107.12 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 31' ' ' CYS . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE1' HD12 ' A' ' 32' ' ' ILE . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.783 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.751 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 16' ' ' VAL . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 20' ' ' TRP . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.44 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.783 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 . . . . . 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.404 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.813 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.745 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.439 HD13 ' NE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.445 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.813 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 . . . . . 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.43 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.415 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.7 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.78 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 . . . . . 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.831 HG13 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.831 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 34' ' ' CYS . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD13 ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' HD22 ' A' ' 30' ' ' LEU . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.804 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.425 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.57 HG22 HD11 ' A' ' 32' ' ' ILE . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.599 ' HE1' HD12 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.791 ' H ' HG13 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.599 HD12 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.775 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 . . . . . 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.528 ' HE1' HD13 ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.836 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.676 ' H ' HG13 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.449 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.836 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 . . . . . 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.428 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 13' ' ' LYS . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.825 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 HD13 ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.825 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 . . . . . 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.688 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 34' ' ' CYS . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 30' ' ' LEU . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.414 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.789 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 . . . . . 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.425 HG22 HD11 ' A' ' 32' ' ' ILE . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.452 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.794 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.452 HD12 ' HE1' ' A' ' 20' ' ' TRP . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.785 ' CB ' HG11 ' A' ' 24' ' ' VAL . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 . . . . . 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.406 HG22 HD11 ' A' ' 32' ' ' ILE . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.68 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' HE1' ' A' ' 20' ' ' TRP . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.429 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.432 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' CB ' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.432 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.808 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 . . . . . 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.493 HG22 HD11 ' A' ' 32' ' ' ILE . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.406 ' HE1' HD12 ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 34' ' ' CYS . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HB3' HG11 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 18' ' ' THR . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.827 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.421 HG22 HD11 ' A' ' 32' ' ' ILE . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.768 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.602 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 18' ' ' THR . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.768 ' CB ' HG11 ' A' ' 24' ' ' VAL . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.709 ' H ' HG13 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.409 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 . . . . . 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 32' ' ' ILE . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.669 ' H ' HG13 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 18' ' ' THR . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.823 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.447 -0.623 0 N-CA-C 107.112 -1.44 . . . . 10.0 107.112 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.68 HG22 HD11 ' A' ' 32' ' ' ILE . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.53 ' HE1' HD12 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.469 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.68 HD11 HG22 ' A' ' 18' ' ' THR . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.469 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 . . . . . 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.472 HG22 HD11 ' A' ' 32' ' ' ILE . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.535 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.425 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.697 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.425 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.815 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 . . . . . 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.446 -0.661 0 N-CA-C 105.183 -2.154 . . . . 10.0 105.183 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.557 HG22 HD11 ' A' ' 32' ' ' ILE . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.611 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.649 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.611 HD12 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.771 ' CB ' HG11 ' A' ' 24' ' ' VAL . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 . . . . . 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 106.709 -1.589 . . . . 10.0 106.709 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB3' ' CD ' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.505 HG22 HD11 ' A' ' 32' ' ' ILE . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' CD ' ' HB3' ' A' ' 7' ' ' TYR . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.437 ' SG ' ' CD2' ' A' ' 40' ' ' HIS . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.796 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HG22 ' A' ' 18' ' ' THR . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CD2' ' SG ' ' A' ' 22' ' ' CYS . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.821 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 . . . . . 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.479 ' HE1' HD13 ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.788 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.708 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.788 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 . . . . . 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.113 0 N-CA-C 110.676 -0.97 . . . . 10.0 110.676 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -156.79 159.05 37.9 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.567 1.183 . . . . 10.0 111.72 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -142.48 166.51 24.48 Favored 'General case' 0 CA--C 1.54 0.571 1 C-N-CA 132.745 4.418 . . . . 10.0 104.281 177.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -22.93 38.18 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 119.938 -1.726 . . . . 10.0 113.644 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.01 10.79 1.03 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 120.613 1.552 . . . . 10.0 113.524 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -127.42 158.07 38.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 126.11 1.764 . . . . 10.0 107.12 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -155.54 -171.04 3.63 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 127.456 2.303 . . . . 10.0 106.394 -172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.76 173.12 11.7 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.995 1.318 . . . . 10.0 109.659 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -120.98 105.88 11.07 Favored 'General case' 0 CA--C 1.504 -0.818 1 N-CA-C 99.218 -4.364 . . . . 10.0 99.218 168.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -65.64 -0.61 2.16 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 119.578 1.081 . . . . 10.0 111.226 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -93.72 -26.44 17.01 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.655 -1.278 . . . . 10.0 112.247 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.6 m -98.55 -22.05 16.18 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.098 0.475 . . . . 10.0 110.096 174.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.68 43.55 20.78 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 128.903 2.881 . . . . 10.0 108.748 -171.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.8 t60 -131.14 166.77 20.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.805 -1.998 . . . . 10.0 106.122 174.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 151.01 43.97 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 126.609 1.964 . . . . 10.0 111.746 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 31' ' ' CYS . 4.2 m -144.16 157.71 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.991 1.716 . . . . 10.0 107.229 173.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -15.21 21.04 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.665 -1.272 . . . . 10.0 109.784 176.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.594 HG23 ' CA ' ' A' ' 48' ' ' GLY . 90.7 m -140.61 126.44 19.32 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 125.152 1.381 . . . . 10.0 107.607 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -134.19 164.72 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 122.166 0.984 . . . . 10.0 111.646 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.418 ' HE1' HD12 ' A' ' 32' ' ' ILE . 85.4 m95 -105.38 136.82 44.23 Favored 'General case' 0 N--CA 1.445 -0.692 1 N-CA-C 98.959 -4.459 . . . . 10.0 98.959 169.123 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -134.46 122.45 22.51 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 121.515 -0.741 . . . . 10.0 109.202 -171.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.73 121.97 19.81 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 126.702 2.001 . . . . 10.0 112.034 176.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 38.2 p -100.14 12.8 36.11 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.491 1.116 . . . . 10.0 112.309 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.783 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.27 -65.32 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 1 C-N-CA 132.812 4.445 . . . . 10.0 105.763 178.127 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.751 ' H ' HG13 ' A' ' 24' ' ' VAL . 5.0 m -70.6 165.95 21.71 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 128.349 2.659 . . . . 10.0 109.328 175.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -73.82 86.14 1.72 Allowed 'General case' 0 C--O 1.223 -0.297 0 C-N-CA 124.674 1.189 . . . . 10.0 110.373 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 49.29 30.38 3.16 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 126.584 1.954 . . . . 10.0 114.308 176.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -63.15 146.82 52.5 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.985 1.314 . . . . 10.0 107.53 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.272 0.0 OUTLIER -134.43 162.57 31.87 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-N 115.758 -0.656 . . . . 10.0 111.787 -174.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 48.9 mt -146.84 136.33 22.89 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 125.187 1.554 . . . . 10.0 110.52 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.417 ' HB3' HG11 ' A' ' 16' ' ' VAL . 28.7 p -68.31 167.83 13.68 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 105.704 -1.961 . . . . 10.0 105.704 168.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.418 HD12 ' HE1' ' A' ' 20' ' ' TRP . 5.9 mm -53.73 -48.01 61.41 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 CA-C-N 115.037 -0.983 . . . . 10.0 112.984 -177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -64.67 -43.29 94.02 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.734 0.813 . . . . 10.0 110.998 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.3 m -67.15 -46.03 75.3 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-O 118.958 -0.544 . . . . 10.0 109.775 178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -55.13 -43.48 74.18 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.685 1.13 . . . . 10.0 110.118 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -63.61 -13.94 46.88 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.658 1.983 . . . . 10.0 115.054 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 42.3 p -130.93 -45.7 1.03 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 119.763 1.165 . . . . 10.0 113.152 -173.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -65.6 -4.59 6.36 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.328 1.851 . . . . 10.0 111.198 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.6 m 43.86 45.0 6.13 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.99 2.116 . . . . 10.0 115.337 171.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.99 112.27 2.88 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 106.3 -1.741 . . . . 10.0 106.3 176.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.93 8.87 43.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 O-C-N 123.999 0.812 . . . . 10.0 112.91 -170.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.783 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.5 m170 -87.54 172.65 9.6 Favored 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 120.464 -1.397 . . . . 10.0 112.217 -173.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.42 101.16 0.92 Allowed 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.166 -0.959 . . . . 10.0 108.726 178.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.2 mtp -109.85 -179.98 3.95 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.562 1.545 . . . . 10.0 112.014 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.15 179.7 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.009 0 C-N-CA 131.109 3.764 . . . . 10.0 103.041 172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.29 136.52 19.95 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 103.789 -2.671 . . . . 10.0 103.789 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -130.2 131.62 45.66 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 102.191 -3.263 . . . . 10.0 102.191 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.594 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -146.72 145.91 15.27 Favored Glycine 0 CA--C 1.497 -1.084 0 N-CA-C 110.154 -1.178 . . . . 10.0 110.154 -171.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.34 1.55 0.84 Allowed 'General case' 0 CA--C 1.54 0.586 0 O-C-N 126.084 1.697 . . . . 10.0 113.7 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.79 -45.85 0.01 OUTLIER Glycine 0 C--N 1.341 0.806 0 CA-C-N 120.831 1.651 . . . . 10.0 115.008 -179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.2 mt -130.4 72.8 1.5 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.592 1.557 . . . . 10.0 107.034 -177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.585 ' HA ' HG21 ' A' ' 18' ' ' THR . 2.7 t70 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.087 -0.959 . . . . 10.0 110.544 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.781 0 N-CA-C 111.25 -0.74 . . . . 10.0 111.25 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -151.4 158.72 44.09 Favored 'General case' 0 C--O 1.238 0.454 0 O-C-N 121.581 -0.952 . . . . 10.0 112.901 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -150.38 162.73 39.98 Favored 'General case' 0 CA--C 1.546 0.807 1 C-N-CA 132.048 4.139 . . . . 10.0 104.2 177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -23.2 58.62 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 120.65 -1.281 . . . . 10.0 113.812 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.15 7.75 1.19 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.186 1.357 . . . . 10.0 112.884 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.95 156.54 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 N-CA-C 106.455 -1.683 . . . . 10.0 106.455 177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -155.23 -175.04 5.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.438 1.495 . . . . 10.0 107.758 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.28 170.21 11.0 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 172.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.7 t -112.73 110.31 20.35 Favored 'General case' 0 N--CA 1.448 -0.535 1 N-CA-C 97.026 -5.175 . . . . 10.0 97.026 167.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -67.8 0.44 3.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 120.223 1.374 . . . . 10.0 111.112 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -97.48 -25.7 15.09 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 117.528 -1.225 . . . . 10.0 112.259 170.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.7 m -96.93 -21.39 17.48 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 175.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.42 43.04 23.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.69 2.396 . . . . 10.0 108.904 -172.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -135.58 161.93 34.12 Favored 'General case' 0 C--O 1.244 0.794 0 C-N-CA 127.062 2.145 . . . . 10.0 106.222 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -75.45 144.49 42.08 Favored 'General case' 0 CA--C 1.516 -0.341 0 C-N-CA 125.331 1.452 . . . . 10.0 111.269 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.1 m -140.97 154.73 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 C-N-CA 126.272 1.829 . . . . 10.0 106.066 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.81 -22.11 21.16 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.889 1.222 . . . . 10.0 110.521 177.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.608 HG23 ' CA ' ' A' ' 48' ' ' GLY . 91.0 m -136.16 134.36 38.16 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 125.172 1.389 . . . . 10.0 108.881 -179.094 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -142.93 170.28 16.0 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-O 122.157 0.979 . . . . 10.0 111.461 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.439 ' NE1' HD13 ' A' ' 32' ' ' ILE . 84.0 m95 -106.37 140.53 39.14 Favored 'General case' 0 C--N 1.317 -0.844 1 N-CA-C 99.629 -4.211 . . . . 10.0 99.629 169.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -137.34 122.16 18.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 -173.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -72.23 122.85 21.77 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.178 1.791 . . . . 10.0 110.671 177.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.5 p -101.0 14.31 32.38 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 122.656 1.217 . . . . 10.0 112.216 178.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.813 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -103.42 -63.66 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.08 1 C-N-CA 134.018 4.927 . . . . 10.0 107.439 178.159 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.745 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.9 m -70.11 171.85 8.96 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 127.311 2.244 . . . . 10.0 108.335 174.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.2 86.54 6.19 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.466 1.107 . . . . 10.0 109.656 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.6 t70 48.31 34.19 4.4 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.874 1.67 . . . . 10.0 113.95 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -67.45 145.75 54.69 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 107.16 -1.422 . . . . 10.0 107.16 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.261 0.1 OUTLIER -133.41 163.07 30.17 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 123.038 0.535 . . . . 10.0 110.707 -173.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.4 mt -149.3 135.44 19.06 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 124.676 1.235 . . . . 10.0 110.327 169.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.5 p -67.44 169.11 9.6 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 123.036 1.398 . . . . 10.0 107.31 169.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.439 HD13 ' NE1' ' A' ' 20' ' ' TRP . 35.0 mm -54.07 -46.84 66.56 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-N 114.844 -1.071 . . . . 10.0 112.252 -178.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -64.58 -44.64 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.509 1.124 . . . . 10.0 112.93 -178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 47.5 m -67.19 -46.15 74.78 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 118.717 -0.659 . . . . 10.0 109.275 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.57 -43.96 68.93 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.488 1.04 . . . . 10.0 110.084 176.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -63.94 -12.61 38.88 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.739 1.616 . . . . 10.0 114.745 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.6 p -126.68 -49.82 1.5 Allowed 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 119.745 1.157 . . . . 10.0 112.495 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -62.09 -5.44 2.24 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.697 1.999 . . . . 10.0 112.499 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.1 m 41.45 46.55 2.98 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.844 2.458 . . . . 10.0 115.089 176.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -66.79 109.48 2.9 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 106.206 -1.775 . . . . 10.0 106.206 176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.95 5.73 50.54 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.336 -1.302 . . . . 10.0 113.545 -170.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.813 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.6 m170 -87.57 173.07 9.29 Favored 'General case' 0 CA--C 1.513 -0.465 0 CA-C-O 122.484 1.135 . . . . 10.0 112.656 -171.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.6 101.27 0.99 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.8 mtp -109.89 -178.67 3.59 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 125.129 1.372 . . . . 10.0 111.498 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.63 176.01 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.376 0 C-N-CA 131.581 3.952 . . . . 10.0 103.065 173.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HE2' ' CG2' ' A' ' 18' ' ' THR . 0.7 OUTLIER -146.1 137.98 25.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 104.054 -2.572 . . . . 10.0 104.054 179.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -132.38 127.32 35.2 Favored 'General case' 0 CA--C 1.502 -0.886 0 N-CA-C 102.595 -3.113 . . . . 10.0 102.595 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.608 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -149.8 147.08 16.99 Favored Glycine 0 CA--C 1.481 -2.076 0 N-CA-C 110.921 -0.872 . . . . 10.0 110.921 -173.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -138.57 -2.57 1.76 Allowed 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 112.979 -1.611 . . . . 10.0 112.153 -175.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.74 -59.7 0.01 OUTLIER Glycine 0 C--N 1.341 0.848 0 CA-C-N 120.98 1.718 . . . . 10.0 112.638 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.2 mp -98.81 68.5 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 106.812 -1.551 . . . . 10.0 106.812 -178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.445 ' HA ' HG21 ' A' ' 18' ' ' THR . 1.4 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 117.86 -1.067 . . . . 10.0 111.009 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.193 0 N-CA-C 110.98 -0.848 . . . . 10.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -153.8 156.0 36.88 Favored 'General case' 0 C--N 1.348 0.523 0 CA-C-N 118.753 1.277 . . . . 10.0 113.259 -178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -145.77 167.65 22.66 Favored 'General case' 0 CA--C 1.546 0.789 1 C-N-CA 133.129 4.571 . . . . 10.0 104.648 176.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.1 -27.6 63.84 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.24 1.2 . . . . 10.0 114.24 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -147.16 16.3 1.18 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.079 1.309 . . . . 10.0 112.489 176.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.72 151.94 32.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 N-CA-C 105.472 -2.047 . . . . 10.0 105.472 178.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.43 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 80.9 m-85 -153.99 -170.65 3.63 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 124.841 1.257 . . . . 10.0 107.765 -171.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.26 172.1 12.18 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 125.422 1.489 . . . . 10.0 108.695 175.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 19.1 t -118.89 109.12 15.63 Favored 'General case' 0 N--CA 1.45 -0.434 1 N-CA-C 98.51 -4.626 . . . . 10.0 98.51 169.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -66.92 0.57 2.4 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 119.814 1.188 . . . . 10.0 111.063 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -96.09 -28.14 14.75 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 119.823 1.192 . . . . 10.0 111.247 171.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.4 m -95.94 -22.22 17.55 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.069 0.85 . . . . 10.0 109.419 175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.58 43.83 16.55 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 127.665 2.386 . . . . 10.0 109.271 -171.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 64.4 t60 -134.93 165.16 25.95 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 126.324 1.85 . . . . 10.0 106.064 173.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.411 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.39 152.33 44.21 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 126.296 1.838 . . . . 10.0 110.903 -178.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.5 m -146.46 152.84 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 127.77 2.428 . . . . 10.0 106.157 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -85.59 -26.02 26.35 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.794 -1.191 . . . . 10.0 109.068 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.4 m -131.58 133.55 45.12 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.845 0.858 . . . . 10.0 110.139 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.43 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 16.2 ptt180 -138.09 168.0 20.63 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.349 1.071 . . . . 10.0 112.004 179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -106.15 137.3 44.33 Favored 'General case' 0 N--CA 1.445 -0.689 1 N-CA-C 99.898 -4.112 . . . . 10.0 99.898 168.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.3 120.47 19.97 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 121.161 -0.962 . . . . 10.0 109.891 -172.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -70.33 122.84 20.33 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 126.302 1.841 . . . . 10.0 111.645 177.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.259 57.1 p -104.39 16.15 26.74 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 123.158 1.456 . . . . 10.0 112.036 177.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.78 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -103.26 -61.3 2.5 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.234 1 C-N-CA 134.061 4.944 . . . . 10.0 106.473 177.934 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.7 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.6 m -74.95 171.62 13.75 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.591 1.957 . . . . 10.0 108.261 175.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -82.76 94.09 7.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.229 1.012 . . . . 10.0 109.398 177.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.6 t70 43.57 33.8 0.71 Allowed 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 127.184 2.194 . . . . 10.0 115.086 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -66.97 144.16 56.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 125.299 1.44 . . . . 10.0 107.643 177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.87 161.9 32.98 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 119.179 -0.439 . . . . 10.0 111.444 -173.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 mt -146.72 133.97 20.59 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 124.15 0.98 . . . . 10.0 110.406 169.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.4 p -64.19 170.84 3.39 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 106.668 -1.605 . . . . 10.0 106.668 169.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.8 mm -57.47 -49.13 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.846 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.006 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -62.77 -43.81 97.83 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.8 m -67.14 -43.44 82.34 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 118.616 -0.707 . . . . 10.0 109.784 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -56.98 -43.21 81.46 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 119.734 1.152 . . . . 10.0 109.503 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -64.71 -11.69 38.8 Favored 'General case' 0 C--O 1.226 -0.154 0 C-N-CA 126.765 2.026 . . . . 10.0 115.412 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.5 p -129.27 -45.03 1.24 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 119.903 1.229 . . . . 10.0 113.721 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.63 0.49 4.1 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.017 2.127 . . . . 10.0 111.665 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.4 m 39.44 47.39 1.55 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 127.221 2.209 . . . . 10.0 115.9 173.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.28 108.38 3.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 105.871 -1.9 . . . . 10.0 105.871 178.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.76 -0.07 57.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.597 -1.183 . . . . 10.0 114.098 -169.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.78 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.9 m170 -80.91 171.72 14.64 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.861 1.06 . . . . 10.0 113.861 -172.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 ttpp -76.01 85.76 2.91 Favored 'General case' 0 C--N 1.347 0.457 0 CA-C-O 122.532 1.158 . . . . 10.0 110.3 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.4 mtp -81.9 -171.87 3.61 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 125.32 1.448 . . . . 10.0 108.768 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.37 174.79 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.091 1 C-N-CA 133.116 4.566 . . . . 10.0 102.178 171.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -148.39 138.63 22.57 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 119.586 -1.946 . . . . 10.0 106.034 -177.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 22.6 m95 -150.96 169.97 20.47 Favored 'General case' 0 N--CA 1.448 -0.525 0 O-C-N 124.483 1.114 . . . . 10.0 108.039 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 165.07 -65.44 0.22 Allowed Glycine 0 CA--C 1.498 -0.976 0 C-N-CA 120.125 -1.036 . . . . 10.0 113.581 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 mt 84.11 8.61 0.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.102 1.761 . . . . 10.0 112.376 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.85 -46.27 0.32 Allowed Glycine 0 C--N 1.342 0.907 0 CA-C-N 119.28 0.945 . . . . 10.0 114.36 -178.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.4 mt -135.68 42.15 2.68 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 105.5 -2.037 . . . . 10.0 105.5 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.147 0 C-N-CA 127.527 2.331 . . . . 10.0 112.651 -171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 N-CA-C 110.145 -1.182 . . . . 10.0 110.145 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -141.85 165.73 26.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.163 1.481 . . . . 10.0 110.596 -177.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 20.8 t70 -153.96 -160.85 1.15 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.499 2.32 . . . . 10.0 107.151 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.437 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -68.25 -42.36 79.79 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 119.77 -1.831 . . . . 10.0 111.388 -178.247 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -154.17 23.13 0.49 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 126.373 1.869 . . . . 10.0 109.402 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -132.04 153.82 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 104.731 -2.322 . . . . 10.0 104.731 -178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -150.97 -173.59 4.54 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.631 1.973 . . . . 10.0 108.175 -173.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -123.81 169.09 11.9 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 120.799 -1.188 . . . . 10.0 108.888 176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -113.65 106.69 14.81 Favored 'General case' 0 C--O 1.234 0.265 1 N-CA-C 97.747 -4.908 . . . . 10.0 97.747 167.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -67.22 1.19 2.24 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-N 120.238 1.381 . . . . 10.0 112.402 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.03 -25.47 14.55 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 121.208 -0.932 . . . . 10.0 112.032 171.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.0 m -98.44 -19.14 17.86 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 118.751 0.705 . . . . 10.0 110.106 174.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.14 42.23 16.87 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 127.952 2.501 . . . . 10.0 109.792 -172.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.35 168.95 14.83 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 106.208 -1.775 . . . . 10.0 106.208 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -82.66 147.82 28.3 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 114.687 -1.142 . . . . 10.0 111.463 -177.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.45 159.19 22.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 C-N-CA 126.984 2.114 . . . . 10.0 107.828 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.71 -21.04 16.61 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.435 0.561 . . . . 10.0 109.803 177.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.694 HG23 ' HA2' ' A' ' 48' ' ' GLY . 99.2 m -136.33 135.24 38.71 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 107.078 -1.453 . . . . 10.0 107.078 -179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -146.47 168.14 21.91 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 120.778 -1.201 . . . . 10.0 110.656 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HE1' HD13 ' A' ' 32' ' ' ILE . 85.5 m95 -101.69 138.51 38.58 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 100.2 -4.0 . . . . 10.0 100.2 168.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.78 123.16 21.93 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 119.099 0.863 . . . . 10.0 108.909 -172.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.29 122.69 20.02 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.552 1.941 . . . . 10.0 111.216 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 p -101.03 20.28 15.85 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 122.833 1.302 . . . . 10.0 112.439 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.831 HG13 ' H ' ' A' ' 25' ' ' CYS 0.266 1.2 p -113.61 -69.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.914 1 C-N-CA 133.831 4.852 . . . . 10.0 105.727 -177.888 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.831 ' H ' HG13 ' A' ' 24' ' ' VAL . 8.0 m -68.99 150.7 47.39 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.324 1.849 . . . . 10.0 106.062 172.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -72.58 104.01 3.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 120.875 -1.141 . . . . 10.0 109.845 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.7 t70 42.87 34.4 0.6 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 128.723 2.809 . . . . 10.0 114.513 177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.406 ' HB3' ' HB2' ' A' ' 25' ' ' CYS . 14.3 t80 -68.41 146.67 53.0 Favored 'General case' 0 C--O 1.241 0.63 0 N-CA-C 106.152 -1.796 . . . . 10.0 106.152 175.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.257 0.1 OUTLIER -133.73 165.12 25.7 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 122.671 0.389 . . . . 10.0 111.49 -174.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 34' ' ' CYS . 35.9 mt -149.2 132.53 16.53 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 124.697 1.199 . . . . 10.0 110.335 169.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -65.17 166.49 9.61 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 107.153 -1.425 . . . . 10.0 107.153 169.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD13 ' HE1' ' A' ' 20' ' ' TRP . 35.0 mm -51.18 -45.71 31.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 114.741 -1.118 . . . . 10.0 112.235 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -65.8 -44.51 85.45 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.578 0.751 . . . . 10.0 112.645 -178.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' HB3' HD22 ' A' ' 30' ' ' LEU . 30.3 m -68.25 -44.19 76.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.47 -45.21 73.13 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.973 -1.08 . . . . 10.0 109.299 177.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -63.04 -12.58 27.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.036 2.134 . . . . 10.0 114.938 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.5 p -128.59 -46.75 1.29 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 119.991 1.268 . . . . 10.0 112.648 -177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -64.17 -5.62 5.2 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.528 1.531 . . . . 10.0 112.63 -178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m 46.05 43.41 10.68 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.846 1.658 . . . . 10.0 114.156 173.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.85 110.29 2.37 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 105.981 -1.859 . . . . 10.0 105.981 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.89 1.66 53.13 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 124.537 1.135 . . . . 10.0 112.306 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.804 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.3 m170 -80.6 167.57 19.92 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.508 1.049 . . . . 10.0 111.285 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.7 111.94 7.4 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.038 -1.097 . . . . 10.0 108.038 179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -110.6 -176.97 3.11 Favored 'General case' 0 C--N 1.32 -0.683 0 C-N-CA 125.91 1.684 . . . . 10.0 109.223 -177.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.2 m -137.31 175.82 8.88 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 1 C-N-CA 132.08 4.152 . . . . 10.0 102.783 173.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.52 135.78 21.53 Favored 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 103.454 -2.795 . . . . 10.0 103.454 179.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 47.6 m95 -130.86 119.49 22.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.06 -3.311 . . . . 10.0 102.06 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.694 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -131.96 142.04 13.43 Favored Glycine 0 CA--C 1.497 -1.069 0 N-CA-C 110.128 -1.189 . . . . 10.0 110.128 -176.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.5 mt -143.23 4.36 1.41 Allowed 'General case' 0 C--O 1.225 -0.225 0 O-C-N 125.198 1.175 . . . . 10.0 113.202 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -158.69 -46.78 0.01 OUTLIER Glycine 0 C--N 1.342 0.891 0 CA-C-N 120.294 1.407 . . . . 10.0 114.309 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.7 mt -129.61 74.56 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 106.376 -1.713 . . . . 10.0 106.376 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.479 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.4 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.998 -1.001 . . . . 10.0 110.471 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.123 0 N-CA-C 110.716 -0.953 . . . . 10.0 110.716 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -150.66 152.34 33.83 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 120.356 -1.673 . . . . 10.0 112.549 -178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.446 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 54.5 t0 -149.62 176.86 10.27 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 129.837 3.255 . . . . 10.0 107.463 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.446 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -52.34 -34.51 47.64 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.536 1.534 . . . . 10.0 114.854 -177.78 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -159.95 25.95 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.331 1.453 . . . . 10.0 109.022 179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.3 t -138.78 151.33 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 105.548 -2.019 . . . . 10.0 105.548 -178.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.425 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 75.5 m-85 -155.19 -168.42 2.85 Favored 'General case' 0 N--CA 1.439 -1.019 0 C-N-CA 126.742 2.017 . . . . 10.0 107.77 -172.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.64 172.61 11.42 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.065 -1.087 . . . . 10.0 108.065 173.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.8 t -119.15 108.78 15.09 Favored 'General case' 0 CA--C 1.502 -0.865 1 N-CA-C 97.093 -5.151 . . . . 10.0 97.093 168.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -67.49 -0.07 3.47 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 119.615 1.098 . . . . 10.0 111.619 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -97.33 -25.62 15.17 Favored 'General case' 0 N--CA 1.441 -0.876 0 O-C-N 121.313 -0.867 . . . . 10.0 112.112 170.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 m -97.22 -23.31 16.23 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 109.208 -0.664 . . . . 10.0 109.208 174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.17 41.51 27.79 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 128.156 2.582 . . . . 10.0 109.028 -172.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -131.33 163.67 27.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 127.435 2.294 . . . . 10.0 106.371 177.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 151.69 44.29 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 113.895 -1.502 . . . . 10.0 110.613 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.8 m -146.48 162.31 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.375 1.87 . . . . 10.0 106.418 173.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.65 -17.76 15.52 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 120.73 -1.232 . . . . 10.0 111.142 178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.628 HG23 ' HA2' ' A' ' 48' ' ' GLY . 83.4 m -138.29 134.47 34.37 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 127.197 2.199 . . . . 10.0 105.496 -179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 13.3 ptt180 -146.07 167.92 22.2 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.7 0.762 . . . . 10.0 111.937 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.599 ' HE1' HD12 ' A' ' 32' ' ' ILE . 81.9 m95 -104.65 138.11 41.46 Favored 'General case' 0 N--CA 1.441 -0.903 1 N-CA-C 99.895 -4.113 . . . . 10.0 99.895 168.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.87 122.22 21.68 Favored 'General case' 0 C--O 1.212 -0.879 0 N-CA-C 109.678 -0.49 . . . . 10.0 109.678 -173.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.05 122.44 19.39 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.213 2.205 . . . . 10.0 111.387 177.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 74.3 p -106.04 26.5 9.63 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-O 122.735 1.255 . . . . 10.0 111.909 178.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.1 p -118.63 -64.97 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.746 1 C-N-CA 135.626 5.571 . . . . 10.0 105.867 -178.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.791 ' H ' HG13 ' A' ' 24' ' ' VAL . 6.0 m -73.24 168.7 18.6 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.109 2.164 . . . . 10.0 108.577 174.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -80.61 99.12 7.96 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 108.387 -0.968 . . . . 10.0 108.387 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.5 t70 41.28 33.94 0.29 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 127.4 2.28 . . . . 10.0 114.882 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -67.79 143.5 55.8 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.426 -1.261 . . . . 10.0 107.649 179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.1 OUTLIER -130.37 161.85 30.4 Favored 'General case' 0 CA--C 1.5 -0.967 0 N-CA-C 112.631 0.604 . . . . 10.0 112.631 -174.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.0 mt -147.38 133.93 19.82 Favored 'General case' 0 N--CA 1.439 -1.003 0 O-C-N 124.526 1.141 . . . . 10.0 109.864 169.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.4 p -65.34 166.43 10.09 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 105.98 -1.859 . . . . 10.0 105.98 168.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.599 HD12 ' HE1' ' A' ' 20' ' ' TRP . 10.5 mm -56.67 -45.97 82.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.061 -0.972 . . . . 10.0 112.342 -177.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -63.87 -42.62 97.48 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.732 0.813 . . . . 10.0 111.967 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 34.0 m -69.3 -44.1 72.44 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -56.65 -43.11 80.0 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.875 -1.141 . . . . 10.0 109.583 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -63.82 -13.7 46.75 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.363 1.865 . . . . 10.0 114.684 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.6 p -126.27 -44.93 1.7 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 123.109 1.433 . . . . 10.0 113.896 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -69.02 -2.09 9.12 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.678 1.591 . . . . 10.0 112.115 -177.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.2 m 42.13 47.73 4.01 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.579 1.952 . . . . 10.0 114.28 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.12 111.86 4.73 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 105.386 -2.079 . . . . 10.0 105.386 176.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.41 3.22 52.99 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 124.031 0.933 . . . . 10.0 113.35 -169.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.775 ' CB ' HG11 ' A' ' 24' ' ' VAL . 10.4 m170 -86.17 170.65 11.97 Favored 'General case' 0 N--CA 1.441 -0.899 0 O-C-N 120.248 -1.533 . . . . 10.0 112.536 -172.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -65.21 104.2 0.89 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 108.106 -1.072 . . . . 10.0 108.106 176.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.3 mtp -107.64 178.36 4.55 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 124.336 1.054 . . . . 10.0 109.492 176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.64 175.07 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 C-N-CA 129.403 3.081 . . . . 10.0 103.595 171.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 1.3 tmtp? -139.59 133.76 31.17 Favored 'General case' 0 CA--C 1.505 -0.786 0 N-CA-C 104.055 -2.572 . . . . 10.0 104.055 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -123.94 123.01 39.46 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 101.888 -3.375 . . . . 10.0 101.888 175.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.628 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -144.27 137.29 7.24 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 119.479 -1.343 . . . . 10.0 111.51 -173.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD22 ' C ' ' A' ' 48' ' ' GLY . 3.9 mm? -133.2 -6.25 3.02 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 112.711 -1.745 . . . . 10.0 111.524 -172.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.51 -38.91 0.05 OUTLIER Glycine 0 CA--C 1.532 1.109 0 CA-C-N 120.456 1.48 . . . . 10.0 116.401 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.3 tp -84.49 -16.98 40.56 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 119.225 1.513 . . . . 10.0 114.11 -173.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.022 0 C-N-CA 128.049 2.539 . . . . 10.0 107.589 -179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 111.591 -0.604 . . . . 10.0 111.591 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 168.84 24.49 Favored 'General case' 0 CA--C 1.518 -0.257 0 O-C-N 120.891 -1.358 . . . . 10.0 112.891 -177.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -153.64 170.56 20.54 Favored 'General case' 0 CA--C 1.542 0.644 1 C-N-CA 133.069 4.547 . . . . 10.0 102.956 176.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.72 -26.6 68.15 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 120.63 -1.294 . . . . 10.0 113.077 176.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -143.94 9.45 1.51 Allowed 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.92 1.236 . . . . 10.0 112.92 177.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.0 t -129.42 155.45 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.633 0 N-CA-C 105.073 -2.195 . . . . 10.0 105.073 178.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -156.17 -172.86 4.26 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 126.316 1.846 . . . . 10.0 106.804 -173.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.7 168.88 15.19 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.188 -0.945 . . . . 10.0 108.939 174.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -111.69 111.0 21.67 Favored 'General case' 0 C--N 1.326 -0.42 1 N-CA-C 97.861 -4.866 . . . . 10.0 97.861 167.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -68.69 0.48 4.17 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 120.038 1.29 . . . . 10.0 111.041 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -98.08 -26.33 14.64 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 118.125 -0.94 . . . . 10.0 111.674 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.9 m -96.09 -21.82 17.72 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 118.842 0.747 . . . . 10.0 109.473 174.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.32 45.66 20.3 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 128.035 2.534 . . . . 10.0 108.851 -171.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -137.49 159.84 40.81 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 127.436 2.294 . . . . 10.0 106.701 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 41.9 m80 -76.26 146.93 38.63 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.534 1.134 . . . . 10.0 112.834 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 m -142.67 160.52 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 126.765 2.026 . . . . 10.0 106.254 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -20.74 17.08 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 119.374 0.988 . . . . 10.0 110.64 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.607 HG23 ' HA2' ' A' ' 48' ' ' GLY . 84.9 m -135.39 136.6 41.57 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 125.738 1.615 . . . . 10.0 107.416 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -144.85 169.27 18.37 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 121.211 -0.931 . . . . 10.0 110.799 179.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.528 ' HE1' HD13 ' A' ' 32' ' ' ILE . 77.9 m95 -104.7 139.46 39.49 Favored 'General case' 0 N--CA 1.442 -0.828 1 N-CA-C 99.973 -4.084 . . . . 10.0 99.973 168.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.07 120.9 18.56 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.053 -1.092 . . . . 10.0 108.053 -174.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.55 119.37 14.61 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 127.266 2.226 . . . . 10.0 110.643 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.7 p -100.65 17.81 20.9 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-O 122.095 0.95 . . . . 10.0 112.342 178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.836 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -104.5 -60.14 3.05 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 1 C-N-CA 133.587 4.755 . . . . 10.0 106.859 177.583 . . . . . . . . 5 4 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.676 ' H ' HG13 ' A' ' 24' ' ' VAL . 17.9 m -73.43 172.14 11.83 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.625 1.97 . . . . 10.0 108.361 175.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -78.94 88.76 4.73 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.7 t70 46.4 37.07 3.87 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 114.997 1.48 . . . . 10.0 114.997 175.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -70.44 145.01 51.29 Favored 'General case' 0 C--O 1.24 0.553 0 N-CA-C 107.111 -1.44 . . . . 10.0 107.111 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.92 161.24 31.31 Favored 'General case' 0 CA--C 1.501 -0.92 0 C-N-CA 123.504 0.722 . . . . 10.0 111.712 -175.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 25.9 mt -148.09 135.55 20.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.859 1.264 . . . . 10.0 109.704 169.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -67.35 168.65 10.25 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 107.838 -1.171 . . . . 10.0 107.838 168.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.528 HD13 ' HE1' ' A' ' 20' ' ' TRP . 38.5 mm -53.63 -43.97 56.21 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 115.216 -0.902 . . . . 10.0 111.616 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -70.26 -43.23 70.93 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 125.472 1.509 . . . . 10.0 111.511 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.4 m -68.61 -44.29 74.61 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 118.63 -0.7 . . . . 10.0 110.395 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -51.86 -46.31 64.4 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-N 118.993 0.815 . . . . 10.0 109.394 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -61.72 -13.57 24.2 Favored 'General case' 0 C--N 1.346 0.419 0 C-N-CA 126.915 2.086 . . . . 10.0 115.412 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.2 p -128.67 -46.32 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 120.121 1.328 . . . . 10.0 112.622 -175.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.46 -9.43 18.5 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.938 1.295 . . . . 10.0 112.52 -177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m 50.43 45.75 26.01 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.232 1.413 . . . . 10.0 114.458 173.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.54 108.46 2.43 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 177.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.86 5.75 48.76 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.587 1.555 . . . . 10.0 114.24 -169.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.836 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.6 m170 -88.71 172.11 9.49 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.893 1.072 . . . . 10.0 113.893 -173.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -76.4 91.19 3.27 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.508 -0.745 . . . . 10.0 109.549 177.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.3 mtp -86.16 -172.09 3.89 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.548 1.166 . . . . 10.0 109.774 176.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.1 m -135.37 172.77 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 1 C-N-CA 133.117 4.567 . . . . 10.0 102.433 170.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -145.86 133.32 20.78 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 104.416 -2.439 . . . . 10.0 104.416 178.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.5 m95 -126.5 117.22 22.41 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 102.344 -3.206 . . . . 10.0 102.344 -179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.607 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -136.0 139.69 10.93 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.804 -0.918 . . . . 10.0 110.804 -174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.5 mt -139.4 5.26 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.108 -1.046 . . . . 10.0 112.739 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.84 -50.71 0.02 OUTLIER Glycine 0 CA--C 1.528 0.852 0 CA-C-N 120.992 1.723 . . . . 10.0 115.14 176.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.0 mt -120.83 83.19 2.03 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 125.266 1.427 . . . . 10.0 107.677 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.689 1.196 . . . . 10.0 111.57 -176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.151 0 N-CA-C 111.249 -0.74 . . . . 10.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.05 158.97 43.88 Favored 'General case' 0 C--N 1.342 0.242 0 O-C-N 120.379 -1.659 . . . . 10.0 113.558 -177.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.498 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.9 t70 -148.55 -179.27 6.84 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 129.107 2.963 . . . . 10.0 107.088 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.498 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -66.14 -31.27 72.02 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.132 -0.98 . . . . 10.0 113.139 -177.5 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 32.0 p90 -151.47 17.96 0.72 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.716 1.206 . . . . 10.0 110.984 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 t -137.34 152.77 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 N-CA-C 104.929 -2.249 . . . . 10.0 104.929 -176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 71.5 m-85 -152.39 -171.27 3.88 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.758 1.623 . . . . 10.0 108.357 -174.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.17 172.54 8.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.197 -0.94 . . . . 10.0 108.479 172.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.7 t -116.36 110.55 18.85 Favored 'General case' 0 CA--C 1.51 -0.567 1 N-CA-C 98.527 -4.62 . . . . 10.0 98.527 168.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -70.99 7.41 1.19 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 119.492 1.042 . . . . 10.0 111.655 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 13' ' ' LYS . 2.7 mm-40 -104.23 -31.8 9.42 Favored 'General case' 0 N--CA 1.433 -1.288 0 CA-C-O 118.183 -0.913 . . . . 10.0 110.112 169.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.1 m -89.63 -19.73 24.55 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.595 0.634 . . . . 10.0 110.5 175.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HE2' ' C ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER 51.02 38.56 20.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.942 1.697 . . . . 10.0 107.303 -171.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 28.2 t60 -133.39 158.51 42.83 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 125.863 1.665 . . . . 10.0 107.25 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -77.23 144.33 38.31 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 126.073 1.749 . . . . 10.0 111.289 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.5 m -140.23 171.99 12.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 127.541 2.336 . . . . 10.0 106.91 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.69 -20.8 11.98 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.806 -1.184 . . . . 10.0 109.913 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.711 HG23 ' HA2' ' A' ' 48' ' ' GLY . 97.5 m -135.59 136.97 41.5 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 126.751 2.02 . . . . 10.0 106.246 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 9.9 ptt180 -146.64 167.56 23.47 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.642 -1.286 . . . . 10.0 110.723 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.476 ' HE1' HD13 ' A' ' 32' ' ' ILE . 82.7 m95 -101.57 139.52 37.11 Favored 'General case' 0 C--N 1.315 -0.934 1 N-CA-C 99.875 -4.12 . . . . 10.0 99.875 168.145 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -136.62 121.39 18.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 118.593 0.633 . . . . 10.0 109.309 -174.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -71.25 122.08 19.58 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 125.782 1.633 . . . . 10.0 112.224 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.281 38.6 p -101.16 14.29 32.43 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 122.61 1.195 . . . . 10.0 112.278 177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.825 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -102.41 -62.02 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.199 1 C-N-CA 133.647 4.779 . . . . 10.0 105.112 178.718 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.687 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.2 m -73.89 168.51 19.3 Favored 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 127.567 2.347 . . . . 10.0 108.64 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -78.68 92.24 4.74 Favored 'General case' 0 C--O 1.224 -0.249 0 C-N-CA 124.079 0.952 . . . . 10.0 108.973 175.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.8 t70 43.81 36.01 1.22 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.332 1.453 . . . . 10.0 114.885 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -69.26 146.44 52.29 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 106.578 -1.638 . . . . 10.0 106.578 177.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -133.13 163.81 28.44 Favored 'General case' 0 CA--C 1.509 -0.604 0 O-C-N 123.573 0.546 . . . . 10.0 110.882 -175.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.9 mt -150.45 133.14 15.84 Favored 'General case' 0 N--CA 1.439 -1.015 0 O-C-N 124.249 0.968 . . . . 10.0 109.204 169.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.3 p -67.17 167.29 12.4 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 107.358 -1.349 . . . . 10.0 107.358 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 HD13 ' HE1' ' A' ' 20' ' ' TRP . 30.9 mm -52.23 -45.06 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 116.224 -0.444 . . . . 10.0 111.791 -177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.03 -45.24 78.08 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 123.882 0.873 . . . . 10.0 111.996 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 36.6 m -68.59 -42.01 78.83 Favored 'General case' 0 N--CA 1.438 -1.026 0 N-CA-C 109.264 -0.643 . . . . 10.0 109.264 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -53.82 -46.39 71.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.615 1.098 . . . . 10.0 108.996 174.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.93 -16.42 61.44 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.932 2.093 . . . . 10.0 115.084 178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.7 p -130.14 0.3 4.67 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-N 119.995 1.271 . . . . 10.0 113.917 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -121.83 9.01 10.0 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 120.69 -1.256 . . . . 10.0 111.168 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m 33.98 46.02 0.13 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.173 2.589 . . . . 10.0 115.319 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.99 108.05 2.07 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 105.849 -1.908 . . . . 10.0 105.849 176.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -0.02 57.31 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 124.256 1.023 . . . . 10.0 113.135 -169.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.825 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.7 m170 -80.38 171.16 15.41 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 119.754 1.161 . . . . 10.0 113.746 -173.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -74.97 90.56 2.44 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.134 -1.061 . . . . 10.0 108.134 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -86.75 -171.46 3.54 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.579 1.552 . . . . 10.0 108.714 176.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 m -137.55 176.31 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.201 1 C-N-CA 132.641 4.376 . . . . 10.0 102.156 169.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -146.78 135.19 21.88 Favored 'General case' 0 CA--C 1.499 -1.018 0 N-CA-C 103.972 -2.603 . . . . 10.0 103.972 178.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -125.58 126.48 44.84 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 101.574 -3.491 . . . . 10.0 101.574 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.711 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -142.68 135.54 6.61 Favored Glycine 0 CA--C 1.5 -0.865 0 N-CA-C 110.273 -1.131 . . . . 10.0 110.273 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.95 -33.25 3.58 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.149 -1.526 . . . . 10.0 111.618 -171.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -162.04 7.54 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 CA-C-O 118.056 -1.414 . . . . 10.0 115.79 -179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 13.4 tp -148.98 54.07 0.98 Allowed 'General case' 0 C--O 1.226 -0.167 0 CA-C-N 119.398 1.599 . . . . 10.0 106.732 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.26 1.609 0 CA-C-O 116.963 -1.494 . . . . 10.0 111.349 -176.297 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.342 0 N-CA-C 110.258 -1.137 . . . . 10.0 110.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -136.38 166.41 23.53 Favored 'General case' 0 C--N 1.347 0.469 0 N-CA-C 114.133 1.16 . . . . 10.0 114.133 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -159.89 168.49 25.64 Favored 'General case' 0 CA--C 1.536 0.437 1 C-N-CA 131.875 4.07 . . . . 10.0 104.965 177.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -32.62 7.24 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.985 1.846 . . . . 10.0 115.985 -176.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -162.29 25.64 0.11 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.958 2.103 . . . . 10.0 109.749 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.94 145.81 27.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 102.46 -3.163 . . . . 10.0 102.46 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 56.2 m-85 -155.1 -166.55 2.32 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.261 -1.385 . . . . 10.0 107.261 -172.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.43 172.22 8.51 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 119.261 0.937 . . . . 10.0 109.349 176.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.1 t -114.56 109.01 17.61 Favored 'General case' 0 C--O 1.236 0.369 1 N-CA-C 97.533 -4.988 . . . . 10.0 97.533 167.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -65.86 -0.02 2.04 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-N 119.969 1.259 . . . . 10.0 112.038 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -99.19 -26.23 14.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 119.084 0.856 . . . . 10.0 112.602 171.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.2 m -94.51 -21.83 18.62 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 118.908 0.776 . . . . 10.0 109.666 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.72 42.8 27.82 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 126.318 1.847 . . . . 10.0 108.532 -172.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -137.11 162.33 33.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.837 2.055 . . . . 10.0 107.595 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -71.85 144.39 49.08 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.128 1.771 . . . . 10.0 112.784 -179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.0 m -141.68 153.4 19.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 126.683 1.993 . . . . 10.0 108.741 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.68 -40.57 20.49 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 173.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.2 m -124.37 138.75 54.34 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 124.425 1.09 . . . . 10.0 110.974 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -143.41 174.4 10.77 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 113.873 1.064 . . . . 10.0 113.873 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -110.07 137.64 47.55 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 100.379 -3.934 . . . . 10.0 100.379 169.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -137.03 118.12 14.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.822 -0.549 . . . . 10.0 109.802 -171.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.3 125.95 28.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 127.26 2.224 . . . . 10.0 110.649 177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.263 32.8 p -104.49 13.27 32.11 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.852 0.861 . . . . 10.0 111.897 177.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.789 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -101.04 -62.09 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 1 C-N-CA 133.423 4.689 . . . . 10.0 107.001 179.093 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.688 ' H ' HG13 ' A' ' 24' ' ' VAL . 15.0 m -72.08 173.24 8.75 Favored 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 129.492 3.117 . . . . 10.0 108.016 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.74 90.88 5.84 Favored 'General case' 0 CA--C 1.52 -0.176 0 C-N-CA 124.624 1.17 . . . . 10.0 110.036 175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.3 t70 43.01 35.31 0.73 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 127.084 2.154 . . . . 10.0 113.148 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.38 142.91 55.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 106.737 -1.579 . . . . 10.0 106.737 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.51 162.54 31.6 Favored 'General case' 0 CA--C 1.499 -0.984 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 -174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD22 ' HB3' ' A' ' 34' ' ' CYS . 26.9 mt -147.77 131.96 17.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 O-C-N 124.934 1.396 . . . . 10.0 108.245 170.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 27.9 p -61.53 167.89 3.16 Favored 'General case' 0 C--O 1.239 0.508 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 169.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 13.8 mm -54.34 -47.7 68.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 O-C-N 121.521 -0.737 . . . . 10.0 111.395 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.811 0.845 . . . . 10.0 111.856 -176.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.41 ' HB3' HD22 ' A' ' 30' ' ' LEU . 20.6 m -69.09 -44.08 73.23 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 109.458 -0.571 . . . . 10.0 109.458 177.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -55.47 -48.26 74.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 119.442 1.019 . . . . 10.0 108.533 177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 14.2 m-20 -61.49 -7.23 2.94 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 128.04 2.536 . . . . 10.0 115.087 177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 20.8 p -128.04 -52.53 1.31 Allowed 'General case' 0 CA--C 1.517 -0.295 0 CA-C-N 120.073 1.306 . . . . 10.0 111.703 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp -64.45 -13.27 50.77 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.989 1.716 . . . . 10.0 111.388 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.7 m 45.37 46.49 10.45 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.77 1.628 . . . . 10.0 114.07 172.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.16 117.04 5.5 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.927 -1.509 . . . . 10.0 106.927 175.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 6.85 44.99 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 113.62 0.97 . . . . 10.0 113.62 -170.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.789 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.2 m170 -86.81 176.51 7.68 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 120.194 1.361 . . . . 10.0 113.356 -171.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.38 97.86 0.79 Allowed 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 114.676 -1.147 . . . . 10.0 108.168 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.6 mtp -107.86 179.43 4.23 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 125.448 1.499 . . . . 10.0 111.465 -178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.18 171.3 17.21 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 130.714 3.606 . . . . 10.0 103.594 171.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.0 tmtt? -145.96 138.33 25.45 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.126 -2.175 . . . . 10.0 105.126 -177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -151.17 170.77 18.64 Favored 'General case' 0 CA--C 1.515 -0.365 0 O-C-N 124.56 1.163 . . . . 10.0 110.19 -176.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.49 -52.8 0.23 Allowed Glycine 0 N--CA 1.441 -0.975 0 C-N-CA 121.195 -0.526 . . . . 10.0 113.529 171.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 mt 76.84 -1.21 2.88 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 126.547 1.939 . . . . 10.0 113.049 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -121.78 -22.13 2.79 Favored Glycine 0 CA--C 1.535 1.299 0 CA-C-N 119.641 1.11 . . . . 10.0 113.923 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 17.8 tp -145.63 34.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 126.641 1.976 . . . . 10.0 106.469 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.246 0.906 0 C-N-CA 125.861 1.665 . . . . 10.0 108.714 -175.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.246 0 N-CA-C 111.072 -0.811 . . . . 10.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -154.44 153.3 31.32 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 118.657 1.229 . . . . 10.0 111.918 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -140.74 169.77 17.01 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 131.686 3.994 . . . . 10.0 105.133 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -18.09 63.92 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.212 -1.555 . . . . 10.0 113.926 178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.27 13.27 0.58 Allowed 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 120.182 1.356 . . . . 10.0 112.174 175.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -134.03 154.38 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.88 0 N-CA-C 106.311 -1.737 . . . . 10.0 106.311 177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' HB3' ' HD3' ' A' ' 19' ' ' ARG . 72.7 m-85 -154.17 -172.3 4.16 Favored 'General case' 0 N--CA 1.435 -1.204 0 C-N-CA 126.742 2.017 . . . . 10.0 108.306 -173.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.82 172.42 11.68 Favored 'General case' 0 C--N 1.316 -0.854 0 C-N-CA 125.003 1.321 . . . . 10.0 108.195 174.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.3 t -118.29 106.79 13.14 Favored 'General case' 0 N--CA 1.44 -0.971 1 N-CA-C 98.89 -4.485 . . . . 10.0 98.89 168.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -66.46 1.27 1.74 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 120.226 1.376 . . . . 10.0 112.205 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -98.01 -26.18 14.71 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 117.52 -1.229 . . . . 10.0 111.919 171.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 m -98.95 -19.41 17.32 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 123.704 0.627 . . . . 10.0 110.908 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.76 41.27 13.76 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 127.367 2.267 . . . . 10.0 109.954 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' HIS . 59.9 t60 -130.63 166.43 20.7 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 112.924 -1.944 . . . . 10.0 106.948 172.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -70.5 151.15 45.41 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 126.476 1.91 . . . . 10.0 111.707 -179.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.1 m -144.86 158.91 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.697 0 C-N-CA 125.974 1.71 . . . . 10.0 106.868 174.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.1 -20.63 18.5 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.385 0.674 . . . . 10.0 109.412 176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.625 HG23 ' HA2' ' A' ' 48' ' ' GLY . 87.0 m -136.06 129.34 31.79 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.545 1.538 . . . . 10.0 107.11 -178.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.4 ' HD3' ' HB3' ' A' ' 7' ' ' TYR . 12.6 ptt180 -139.69 166.82 23.58 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.895 0.855 . . . . 10.0 110.237 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.452 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.0 m95 -105.28 138.36 41.61 Favored 'General case' 0 N--CA 1.43 -1.439 1 N-CA-C 100.146 -4.02 . . . . 10.0 100.146 168.68 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -134.67 120.9 20.09 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 121.289 -0.882 . . . . 10.0 108.8 -172.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -68.7 122.81 19.31 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 125.789 1.635 . . . . 10.0 111.499 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.0 p -105.66 27.98 7.91 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.847 1.308 . . . . 10.0 111.885 178.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.794 HG13 ' H ' ' A' ' 25' ' ' CYS . 1.3 p -120.17 -65.38 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.999 1 C-N-CA 134.48 5.112 . . . . 10.0 106.219 -176.531 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.794 ' H ' HG13 ' A' ' 24' ' ' VAL . 14.5 m -70.91 171.11 11.3 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 126.625 1.97 . . . . 10.0 108.773 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -80.59 93.69 6.15 Favored 'General case' 0 C--N 1.347 0.466 0 C-N-CA 124.072 0.949 . . . . 10.0 108.677 176.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.3 t70 43.49 37.21 1.36 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 126.132 1.773 . . . . 10.0 115.276 176.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -70.48 142.56 51.91 Favored 'General case' 0 C--O 1.24 0.569 0 N-CA-C 106.63 -1.619 . . . . 10.0 106.63 177.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.25 0.2 OUTLIER -129.17 162.7 27.19 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 122.854 0.462 . . . . 10.0 110.597 -175.449 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.4 mt -146.92 133.82 20.2 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 124.201 0.938 . . . . 10.0 110.076 169.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -66.91 169.26 8.45 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 106.504 -1.665 . . . . 10.0 106.504 169.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.452 HD12 ' HE1' ' A' ' 20' ' ' TRP . 7.0 mm -54.29 -46.91 69.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.432 -1.258 . . . . 10.0 112.248 -177.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -64.65 -44.71 89.55 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 123.266 0.626 . . . . 10.0 111.688 -178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.1 m -67.82 -45.19 75.4 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.312 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -53.82 -43.43 69.39 Favored 'General case' 0 CA--C 1.544 0.744 0 O-C-N 121.431 -0.793 . . . . 10.0 110.292 174.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -65.29 -14.98 62.01 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.699 1.599 . . . . 10.0 114.78 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 33.6 p -128.61 -45.27 1.33 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.836 1.653 . . . . 10.0 114.023 -173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -66.18 -3.25 5.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.493 1.917 . . . . 10.0 112.797 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m 43.73 46.38 6.35 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.664 2.386 . . . . 10.0 114.986 172.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.3 113.37 3.56 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 106.42 -1.696 . . . . 10.0 106.42 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.63 11.39 35.51 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 114.3 1.222 . . . . 10.0 114.3 -169.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.785 ' CB ' HG11 ' A' ' 24' ' ' VAL . 9.8 m170 -95.64 170.8 9.08 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.13 -0.981 . . . . 10.0 113.535 -174.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -67.31 106.12 1.97 Allowed 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.228 -1.027 . . . . 10.0 108.228 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -110.44 172.49 6.83 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.891 1.276 . . . . 10.0 109.217 176.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.4 m -125.02 179.22 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.931 0 C-N-CA 129.497 3.119 . . . . 10.0 103.147 170.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -146.44 133.59 20.47 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 104.712 -2.329 . . . . 10.0 104.712 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -126.13 130.75 51.65 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 101.785 -3.413 . . . . 10.0 101.785 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.625 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -146.95 141.08 9.09 Favored Glycine 0 N--CA 1.439 -1.111 0 N-CA-C 109.835 -1.306 . . . . 10.0 109.835 -170.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.43 1.21 1.05 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 125.994 1.643 . . . . 10.0 114.147 -173.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.96 -45.97 0.02 OUTLIER Glycine 0 C--N 1.343 0.935 0 CA-C-N 119.779 1.172 . . . . 10.0 115.156 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.2 mt -127.68 72.13 1.38 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.782 -1.562 . . . . 10.0 106.782 -177.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' HA ' HG21 ' A' ' 18' ' ' THR . 3.4 t70 . . . . . 0 C--O 1.259 1.602 0 CA-C-O 117.711 -1.138 . . . . 10.0 112.013 -177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.008 0 CA-C-O 119.108 -0.829 . . . . 10.0 111.977 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -138.12 164.26 29.58 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 118.832 1.316 . . . . 10.0 112.67 -175.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -137.33 -133.79 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 129.661 3.184 . . . . 10.0 104.799 175.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -116.62 -32.9 5.04 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 120.303 1.41 . . . . 10.0 108.674 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -137.8 2.65 2.42 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 124.749 1.22 . . . . 10.0 110.185 174.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -127.87 158.52 39.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.73 0 N-CA-C 106.17 -1.789 . . . . 10.0 106.17 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.503 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 29.7 m-85 -158.33 -171.31 3.42 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.511 1.525 . . . . 10.0 107.308 -175.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.72 167.25 12.67 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 119.812 1.187 . . . . 10.0 109.556 173.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 11.4 t -105.27 109.35 21.29 Favored 'General case' 0 N--CA 1.445 -0.696 1 N-CA-C 97.071 -5.159 . . . . 10.0 97.071 167.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -65.08 -1.62 2.26 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 119.675 1.125 . . . . 10.0 111.729 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.26 -27.25 13.87 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 117.968 -1.015 . . . . 10.0 112.47 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.4 -21.26 20.32 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 119.037 0.835 . . . . 10.0 109.876 173.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.95 46.43 15.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 127.199 2.2 . . . . 10.0 108.727 -170.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -140.04 160.06 40.78 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 127.556 2.342 . . . . 10.0 106.538 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -77.18 146.15 37.23 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 124.548 1.139 . . . . 10.0 113.386 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 m -140.65 170.95 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 128.27 2.628 . . . . 10.0 107.192 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.71 -28.14 7.9 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.049 -1.032 . . . . 10.0 109.006 176.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.657 HG23 ' CA ' ' A' ' 48' ' ' GLY . 85.4 m -128.12 134.65 49.14 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 125.894 1.678 . . . . 10.0 106.767 -179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.503 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -149.82 168.16 24.49 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 121.599 -0.688 . . . . 10.0 111.596 -177.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.7 m95 -103.67 138.58 40.13 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 101.57 -3.493 . . . . 10.0 101.57 169.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.11 119.99 15.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 118.638 0.653 . . . . 10.0 109.517 -172.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.56 121.28 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 126.533 1.933 . . . . 10.0 111.492 177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.7 p -102.72 13.96 33.14 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.993 0.902 . . . . 10.0 111.671 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.7 OUTLIER -102.12 -59.98 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.266 1 C-N-CA 134.177 4.991 . . . . 10.0 106.876 178.342 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -75.04 173.48 10.67 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.649 1.98 . . . . 10.0 108.054 175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -85.04 94.93 8.95 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.095 0.958 . . . . 10.0 108.607 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.8 t70 42.83 37.3 1.04 Allowed 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.32 1.848 . . . . 10.0 114.791 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -72.27 144.12 48.51 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 106.36 -1.718 . . . . 10.0 106.36 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.24 158.76 40.97 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 124.264 1.025 . . . . 10.0 110.952 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.3 mt -145.03 133.14 21.47 Favored 'General case' 0 N--CA 1.434 -1.269 0 C-N-CA 124.198 0.999 . . . . 10.0 109.881 169.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.8 p -65.7 168.48 7.63 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 106.905 -1.517 . . . . 10.0 106.905 169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD12 ' HE1' ' A' ' 20' ' ' TRP . 4.2 mm -55.91 -46.68 80.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.068 -0.969 . . . . 10.0 111.428 -176.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -66.77 -39.72 87.96 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.189 0.996 . . . . 10.0 111.82 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.0 m -70.14 -43.2 71.43 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -54.2 -46.36 72.41 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 119.651 1.114 . . . . 10.0 108.995 177.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -59.32 -14.07 10.27 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 127.755 2.422 . . . . 10.0 115.852 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.1 p -127.55 -42.13 1.66 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 119.79 1.177 . . . . 10.0 112.347 -175.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -69.79 -8.65 50.01 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.761 1.224 . . . . 10.0 111.875 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.4 m 47.45 44.22 16.4 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.576 1.55 . . . . 10.0 114.106 173.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.88 110.08 3.18 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 106.029 -1.841 . . . . 10.0 106.029 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.98 2.06 55.3 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 114.143 1.164 . . . . 10.0 114.143 -169.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 13.9 m170 -81.3 171.76 14.42 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 119.135 0.879 . . . . 10.0 112.605 -174.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -74.67 90.92 2.32 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 122.16 0.981 . . . . 10.0 110.326 177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.6 mtp -86.39 -173.17 4.4 Favored 'General case' 0 C--N 1.314 -0.96 0 C-N-CA 124.508 1.123 . . . . 10.0 109.833 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 m -135.34 173.82 13.7 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 131.55 3.94 . . . . 10.0 103.269 169.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -144.01 134.84 25.18 Favored 'General case' 0 CA--C 1.504 -0.815 0 N-CA-C 103.771 -2.678 . . . . 10.0 103.771 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 44.6 m95 -127.51 130.91 49.99 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 103.946 -2.613 . . . . 10.0 103.946 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.657 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -143.64 134.51 5.87 Favored Glycine 0 CA--C 1.509 -0.342 0 O-C-N 124.101 0.875 . . . . 10.0 112.174 -172.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.28 -3.21 6.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 112.945 -1.627 . . . . 10.0 113.793 -174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.24 -41.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.709 0 CA-C-O 117.443 -1.754 . . . . 10.0 116.699 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.7 mt -125.06 82.45 2.06 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 120.298 2.049 . . . . 10.0 107.9 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.519 ' HA ' HG21 ' A' ' 18' ' ' THR . 7.8 t70 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 124.977 1.311 . . . . 10.0 113.508 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.531 0 N-CA-C 111.275 -0.73 . . . . 10.0 111.275 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -150.94 157.17 42.57 Favored 'General case' 0 CA--C 1.534 0.362 0 O-C-N 121.258 -1.142 . . . . 10.0 112.033 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -146.47 169.26 19.26 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 131.601 3.96 . . . . 10.0 104.803 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -21.64 66.66 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 119.668 -1.895 . . . . 10.0 113.361 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.33 7.46 1.01 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.92 1.236 . . . . 10.0 112.782 175.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -129.01 158.4 41.68 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 N-CA-C 106.702 -1.592 . . . . 10.0 106.702 179.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -155.71 -176.72 6.1 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 125.781 1.633 . . . . 10.0 108.533 -173.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.48 171.02 9.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 118.907 0.776 . . . . 10.0 109.197 173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 16.3 t -116.12 109.93 18.16 Favored 'General case' 0 C--N 1.325 -0.466 1 N-CA-C 98.358 -4.682 . . . . 10.0 98.358 168.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -68.23 0.51 3.7 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 120.066 1.303 . . . . 10.0 111.902 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -97.04 -25.54 15.32 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 117.652 -1.166 . . . . 10.0 111.278 170.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 37.5 m -97.82 -20.45 17.52 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.833 0.742 . . . . 10.0 110.149 175.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.08 47.14 12.97 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 127.729 2.412 . . . . 10.0 109.086 -171.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -139.65 160.48 39.78 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 112.142 -2.299 . . . . 10.0 106.369 -179.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -76.04 145.51 40.12 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 126.04 1.736 . . . . 10.0 112.061 -178.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.67 160.53 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 127.014 2.126 . . . . 10.0 106.586 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.88 -19.8 17.89 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 120.204 -1.56 . . . . 10.0 109.947 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.633 HG21 ' HA ' ' A' ' 52' ' ' ASP . 88.7 m -136.37 132.06 35.05 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.196 1.398 . . . . 10.0 107.56 -179.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -144.1 167.81 21.51 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.525 -1.36 . . . . 10.0 110.71 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 m95 -103.66 141.55 35.86 Favored 'General case' 0 C--N 1.318 -0.793 1 N-CA-C 99.379 -4.304 . . . . 10.0 99.379 168.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.48 122.71 18.13 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 121.201 -0.937 . . . . 10.0 109.61 -175.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.88 121.12 18.49 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 126.61 1.964 . . . . 10.0 111.122 177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.268 34.7 p -100.75 14.7 30.75 Favored 'General case' 0 N--CA 1.485 1.301 0 CA-C-O 122.572 1.177 . . . . 10.0 112.179 178.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.808 HG11 ' CB ' ' A' ' 42' ' ' HIS . 1.0 OUTLIER -102.63 -61.09 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.306 1 C-N-CA 133.713 4.805 . . . . 10.0 107.487 178.459 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.2 m -74.24 172.99 10.8 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 127.637 2.375 . . . . 10.0 109.681 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -79.05 89.4 4.79 Favored 'General case' 0 N--CA 1.462 0.127 0 C-N-CA 124.565 1.146 . . . . 10.0 109.187 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.0 t70 44.46 34.91 1.18 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.672 1.589 . . . . 10.0 114.914 176.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.5 144.24 53.25 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 107.214 -1.402 . . . . 10.0 107.214 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.251 0.1 OUTLIER -132.18 163.04 29.43 Favored 'General case' 0 CA--C 1.501 -0.921 0 C-N-CA 122.965 0.506 . . . . 10.0 111.192 -174.399 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 30.8 mt -149.51 131.42 15.2 Favored 'General case' 0 N--CA 1.438 -1.047 0 O-C-N 124.558 1.161 . . . . 10.0 109.774 169.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.1 p -65.8 167.59 9.17 Favored 'General case' 0 C--N 1.346 0.421 0 N-CA-C 107.247 -1.39 . . . . 10.0 107.247 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.73 -47.1 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.094 -176.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -64.62 -43.13 94.71 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.099 0.409 . . . . 10.0 111.476 -177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 29.0 m -70.52 -40.04 73.72 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 119.286 -0.388 . . . . 10.0 110.686 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -57.02 -49.22 76.47 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 173.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -62.67 -14.73 47.11 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 126.555 1.942 . . . . 10.0 114.63 178.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 40.7 p -124.65 -14.32 6.82 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 120.157 1.344 . . . . 10.0 114.053 -178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.43 0.94 21.34 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 124.168 0.987 . . . . 10.0 110.375 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.7 m 31.61 52.42 0.2 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 129.064 2.945 . . . . 10.0 115.344 174.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -63.31 118.21 7.7 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 105.011 -2.218 . . . . 10.0 105.011 178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.91 0.45 44.11 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.879 1.066 . . . . 10.0 113.879 -169.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.808 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.5 m170 -78.99 170.69 16.3 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 119.784 -1.822 . . . . 10.0 112.678 -174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -71.12 93.31 1.04 Allowed 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.653 0.739 . . . . 10.0 109.542 179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.1 mtp -86.8 -174.39 4.93 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 125.172 1.389 . . . . 10.0 109.8 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.8 m -135.88 176.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.353 1 C-N-CA 133.4 4.68 . . . . 10.0 102.794 169.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -144.22 141.08 29.65 Favored 'General case' 0 CA--C 1.507 -0.71 0 N-CA-C 103.731 -2.692 . . . . 10.0 103.731 177.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -131.5 131.24 43.29 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 101.984 -3.339 . . . . 10.0 101.984 178.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -144.92 144.72 13.55 Favored Glycine 0 N--CA 1.436 -1.348 0 N-CA-C 109.329 -1.509 . . . . 10.0 109.329 -173.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.91 -6.12 0.68 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 125.554 1.385 . . . . 10.0 113.755 -174.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.73 -37.23 0.03 OUTLIER Glycine 0 C--N 1.333 0.39 0 CA-C-N 120.876 1.671 . . . . 10.0 115.297 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.6 mt -136.58 64.25 1.55 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 106.209 -1.774 . . . . 10.0 106.209 -177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.633 ' HA ' HG21 ' A' ' 18' ' ' THR . 6.6 t70 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.207 -0.901 . . . . 10.0 110.893 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.153 0 N-CA-C 111.067 -0.813 . . . . 10.0 111.067 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.21 162.22 40.89 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-N 118.379 1.089 . . . . 10.0 113.695 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -156.06 -162.75 1.34 Allowed 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 128.736 2.814 . . . . 10.0 108.367 -176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -45.03 77.88 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 119.66 -1.9 . . . . 10.0 111.053 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -149.72 21.94 0.9 Allowed 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.426 1.491 . . . . 10.0 109.827 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -133.85 149.55 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 N-CA-C 105.169 -2.159 . . . . 10.0 105.169 -176.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -154.47 -163.85 1.7 Allowed 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 104.89 -2.263 . . . . 10.0 104.89 -174.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.78 170.84 14.98 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 124.308 1.043 . . . . 10.0 110.607 177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.6 t -110.33 108.55 18.66 Favored 'General case' 0 N--CA 1.442 -0.835 1 N-CA-C 96.924 -5.213 . . . . 10.0 96.924 167.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -65.78 -0.54 2.24 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 118.326 0.512 . . . . 10.0 112.23 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.32 -26.41 14.9 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 118.393 -0.813 . . . . 10.0 112.025 170.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.3 m -94.55 -22.74 18.01 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.899 -0.778 . . . . 10.0 108.899 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 50.13 38.64 17.53 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 127.223 2.209 . . . . 10.0 109.17 -172.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -128.69 163.95 23.99 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 127.645 2.378 . . . . 10.0 105.745 173.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.17 149.78 48.24 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.033 1.333 . . . . 10.0 112.523 -179.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 31' ' ' CYS . 5.2 m -147.63 155.33 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 C-N-CA 125.67 1.588 . . . . 10.0 107.809 171.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -101.93 -22.88 14.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 120.659 -1.275 . . . . 10.0 111.127 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.615 HG23 ' HA2' ' A' ' 48' ' ' GLY . 78.3 m -126.9 134.09 50.53 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 105.274 -2.121 . . . . 10.0 105.274 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.58 167.46 30.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 122.032 0.92 . . . . 10.0 112.316 -176.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.406 ' HE1' HD12 ' A' ' 32' ' ' ILE . 77.7 m95 -102.29 136.26 42.44 Favored 'General case' 0 N--CA 1.444 -0.771 1 N-CA-C 99.851 -4.129 . . . . 10.0 99.851 169.344 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -135.42 120.22 18.45 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 -173.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.96 122.37 20.72 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.844 2.058 . . . . 10.0 110.852 177.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.302 41.3 p -99.48 9.56 43.01 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.429 1.109 . . . . 10.0 113.072 177.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.827 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -97.39 -59.3 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.79 1 C-N-CA 133.281 4.632 . . . . 10.0 106.228 177.267 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' H ' HG13 ' A' ' 24' ' ' VAL . 20.0 m -75.32 171.8 13.57 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 128.671 2.789 . . . . 10.0 109.706 176.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -73.01 67.39 0.86 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.615 2.366 . . . . 10.0 112.074 -178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.4 t70 52.79 31.41 10.49 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 120.582 -1.324 . . . . 10.0 112.164 -176.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -62.05 144.14 55.64 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.341 1.456 . . . . 10.0 108.001 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -131.72 162.22 30.98 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 112.081 0.401 . . . . 10.0 112.081 -175.107 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 34' ' ' CYS . 31.8 mt -146.22 134.19 21.42 Favored 'General case' 0 N--CA 1.436 -1.13 0 CA-C-O 118.097 -0.954 . . . . 10.0 108.793 169.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' HB3' HG11 ' A' ' 16' ' ' VAL . 27.1 p -64.01 171.45 2.88 Favored 'General case' 0 C--O 1.244 0.773 0 N-CA-C 106.462 -1.681 . . . . 10.0 106.462 168.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 18' ' ' THR . 17.4 mm -57.46 -45.26 85.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 121.782 -0.574 . . . . 10.0 112.309 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -66.04 -42.86 89.01 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.298 0.639 . . . . 10.0 112.101 -176.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' HB3' HD22 ' A' ' 30' ' ' LEU . 50.9 m -68.45 -44.36 75.05 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 118.5 -0.762 . . . . 10.0 109.069 178.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -53.72 -45.25 70.4 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.589 1.086 . . . . 10.0 109.873 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -60.56 -11.85 8.27 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.048 2.139 . . . . 10.0 115.355 178.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.9 p -128.54 -43.98 1.39 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 119.73 1.15 . . . . 10.0 111.84 -177.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -68.39 0.94 3.36 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.701 1.6 . . . . 10.0 113.15 -178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 35.91 47.64 0.43 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.121 2.168 . . . . 10.0 115.462 174.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.31 111.67 4.13 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 105.237 -2.134 . . . . 10.0 105.237 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.33 0.32 50.56 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.476 1.11 . . . . 10.0 113.826 -169.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.827 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.3 m170 -81.61 169.46 17.01 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.038 -1.039 . . . . 10.0 113.677 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -72.23 89.04 1.17 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 122.416 1.103 . . . . 10.0 110.263 178.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 7.0 mtp -85.27 -172.55 4.22 Favored 'General case' 0 C--N 1.315 -0.902 0 C-N-CA 124.921 1.288 . . . . 10.0 109.81 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.25 174.81 11.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.14 1 C-N-CA 132.075 4.15 . . . . 10.0 102.152 170.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? -143.79 137.01 27.74 Favored 'General case' 0 CA--C 1.499 -0.988 0 N-CA-C 103.997 -2.594 . . . . 10.0 103.997 179.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -130.91 129.69 42.54 Favored 'General case' 0 CA--C 1.501 -0.938 0 N-CA-C 102.651 -3.092 . . . . 10.0 102.651 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.615 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -138.62 137.49 8.76 Favored Glycine 0 N--CA 1.442 -0.933 0 N-CA-C 110.86 -0.896 . . . . 10.0 110.86 -174.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -144.94 7.64 1.22 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 125.895 1.585 . . . . 10.0 113.247 -174.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.9 -76.88 0.03 OUTLIER Glycine 0 C--N 1.339 0.748 0 CA-C-N 120.576 1.534 . . . . 10.0 113.176 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 mp -88.02 61.16 6.19 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 105.031 -2.211 . . . . 10.0 105.031 177.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.543 ' HA ' HG21 ' A' ' 18' ' ' THR . 20.0 t70 . . . . . 0 C--O 1.244 0.803 0 O-C-N 124.922 1.389 . . . . 10.0 112.859 -171.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.11 0 N-CA-C 109.599 -1.4 . . . . 10.0 109.599 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.491 ' NE2' HH22 ' A' ' 19' ' ' ARG . 24.5 pt20 -145.68 159.15 43.58 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 119.21 1.505 . . . . 10.0 114.836 -179.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -139.11 -169.74 2.72 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 130.295 3.438 . . . . 10.0 107.738 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.1 mtt85 -65.72 -35.67 81.39 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 126.392 1.877 . . . . 10.0 111.91 -178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -154.27 12.2 0.41 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 125.828 1.651 . . . . 10.0 110.817 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -128.37 153.79 38.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 N-CA-C 105.755 -1.942 . . . . 10.0 105.755 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.507 ' CD1' ' HD3' ' A' ' 19' ' ' ARG . 67.6 m-85 -158.75 -169.85 2.85 Favored 'General case' 0 N--CA 1.437 -1.103 0 C-N-CA 125.358 1.463 . . . . 10.0 108.311 -172.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.42 153.73 51.69 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 125.089 1.356 . . . . 10.0 108.647 172.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.3 t -91.18 113.63 25.94 Favored 'General case' 0 N--CA 1.444 -0.742 1 N-CA-C 95.869 -5.604 . . . . 10.0 95.869 167.28 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -67.69 0.88 2.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 119.148 0.885 . . . . 10.0 110.676 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -99.37 -32.18 11.3 Favored 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 117.914 -1.041 . . . . 10.0 112.319 169.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.5 m -85.31 -22.82 28.37 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 118.783 0.719 . . . . 10.0 111.186 175.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.75 18.53 7.35 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.739 2.016 . . . . 10.0 109.952 -173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -115.06 163.98 14.84 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.011 1.724 . . . . 10.0 106.464 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.91 147.62 46.87 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.413 1.485 . . . . 10.0 112.168 -178.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.46 167.52 14.92 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.834 0 C-N-CA 126.19 1.796 . . . . 10.0 109.025 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.28 -22.7 11.6 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.447 1.499 . . . . 10.0 110.441 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.555 HG21 ' HA ' ' A' ' 52' ' ' ASP . 91.0 m -135.07 132.74 38.56 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.243 -1.391 . . . . 10.0 107.243 -178.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.507 ' HD3' ' CD1' ' A' ' 7' ' ' TYR . 1.4 ptt-85 -154.19 167.6 29.33 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 121.231 -0.918 . . . . 10.0 113.324 -175.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 86.1 m95 -100.75 146.04 27.73 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 101.187 -3.635 . . . . 10.0 101.187 168.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.54 122.27 17.56 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 108.702 -0.851 . . . . 10.0 108.702 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.44 117.98 11.74 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 126.916 2.086 . . . . 10.0 112.15 175.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -99.46 15.19 27.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 123.697 0.799 . . . . 10.0 111.821 177.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.768 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -100.09 -58.31 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.842 1 C-N-CA 133.293 4.637 . . . . 10.0 107.942 178.762 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.602 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.0 m -80.9 177.66 8.9 Favored 'General case' 0 N--CA 1.446 -0.675 0 C-N-CA 130.344 3.457 . . . . 10.0 110.727 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -83.16 89.12 6.91 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 114.391 -1.277 . . . . 10.0 110.506 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 t70 43.8 36.71 1.39 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 126.184 1.794 . . . . 10.0 114.353 178.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -73.97 144.0 45.41 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 107.382 -1.34 . . . . 10.0 107.382 -177.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -130.62 159.72 36.37 Favored 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 124.102 0.961 . . . . 10.0 110.991 -175.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.0 mt -146.59 135.66 22.56 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 123.697 0.799 . . . . 10.0 109.507 170.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.409 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 28.6 p -66.33 169.88 6.73 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.287 -1.375 . . . . 10.0 107.287 169.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.421 HD11 HG22 ' A' ' 18' ' ' THR . 22.4 mm -54.05 -47.92 65.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-N 115.787 -0.642 . . . . 10.0 112.092 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.89 -43.26 93.46 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 123.503 0.721 . . . . 10.0 112.047 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.5 m -68.17 -42.76 79.52 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-O 118.863 -0.589 . . . . 10.0 109.932 177.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -56.59 -48.04 78.26 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.591 1.087 . . . . 10.0 108.542 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.08 -6.77 6.98 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 127.937 2.495 . . . . 10.0 114.794 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 27.7 p -128.62 -53.48 1.25 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 119.299 0.954 . . . . 10.0 111.763 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -62.05 -15.71 46.65 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.103 1.361 . . . . 10.0 110.773 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m 46.3 40.91 8.33 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 125.347 1.459 . . . . 10.0 114.21 173.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -74.25 66.41 1.28 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.602 1.961 . . . . 10.0 107.431 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.5 m -66.83 25.66 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.182 2.593 . . . . 10.0 114.443 -171.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.768 ' CB ' HG11 ' A' ' 24' ' ' VAL . 23.8 m170 -75.27 172.24 12.78 Favored 'General case' 0 C--N 1.344 0.359 0 O-C-N 118.289 -2.757 . . . . 10.0 110.63 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.64 107.52 3.47 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 122.937 1.351 . . . . 10.0 107.737 177.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 9.0 mtp -111.21 -178.98 3.6 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 126.048 1.739 . . . . 10.0 110.623 -176.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -131.38 169.74 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 131.277 3.831 . . . . 10.0 102.15 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.43 137.86 39.2 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 104.108 -2.553 . . . . 10.0 104.108 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.7 m95 -132.64 127.79 35.67 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 102.431 -3.174 . . . . 10.0 102.431 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.504 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -139.26 147.47 19.23 Favored Glycine 0 CA--C 1.488 -1.634 0 N-CA-C 109.128 -1.589 . . . . 10.0 109.128 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.84 -1.59 0.31 Allowed 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 125.779 1.517 . . . . 10.0 113.31 -174.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.73 -42.45 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 CA-C-N 120.142 1.337 . . . . 10.0 114.894 -178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.3 mt -129.15 53.34 1.89 Allowed 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 106.497 -1.668 . . . . 10.0 106.497 -176.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.555 ' HA ' HG21 ' A' ' 18' ' ' THR . 9.7 t70 . . . . . 0 C--O 1.254 1.336 0 O-C-N 125.127 1.517 . . . . 10.0 112.096 -175.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.464 0 N-CA-C 110.401 -1.08 . . . . 10.0 110.401 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -152.99 152.87 31.89 Favored 'General case' 0 CA--C 1.528 0.133 0 CA-C-N 119.602 1.701 . . . . 10.0 113.723 -177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -141.38 164.52 30.01 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 131.445 3.898 . . . . 10.0 104.803 176.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -21.44 63.98 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.385 1.448 . . . . 10.0 114.518 -178.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.53 5.64 1.23 Allowed 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 120.049 1.295 . . . . 10.0 112.978 177.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 t -128.38 155.09 39.91 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 N-CA-C 106.856 -1.535 . . . . 10.0 106.856 177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -155.57 -170.23 3.37 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 125.877 1.671 . . . . 10.0 106.98 -173.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.24 164.47 27.0 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 124.987 1.315 . . . . 10.0 107.562 172.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.2 t -109.76 106.8 16.56 Favored 'General case' 0 N--CA 1.439 -1.002 1 N-CA-C 95.27 -5.826 . . . . 10.0 95.27 167.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.258 0.0 OUTLIER -70.62 0.87 6.03 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.866 -1.064 . . . . 10.0 110.569 178.636 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.94 -25.06 18.19 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 120.047 1.294 . . . . 10.0 111.022 169.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.0 m -98.96 -20.59 16.69 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-O 121.471 0.653 . . . . 10.0 109.973 175.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.35 32.77 14.34 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 128.206 2.603 . . . . 10.0 110.441 -173.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 t60 -121.2 163.8 17.92 Favored 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.153 -1.795 . . . . 10.0 106.153 172.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 151.23 44.46 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.093 1.757 . . . . 10.0 111.202 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.32 159.64 13.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 125.936 1.694 . . . . 10.0 107.346 175.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.11 -19.02 17.42 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.066 0.946 . . . . 10.0 110.547 178.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.64 HG23 ' CA ' ' A' ' 48' ' ' GLY . 91.6 m -138.41 131.8 30.42 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 106.353 -1.721 . . . . 10.0 106.353 -179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.9 ptt180 -143.04 170.34 15.88 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.179 -0.95 . . . . 10.0 110.2 -178.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.2 m95 -108.33 139.98 42.27 Favored 'General case' 0 C--N 1.317 -0.842 1 N-CA-C 99.692 -4.188 . . . . 10.0 99.692 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -137.57 121.58 17.79 Favored 'General case' 0 CA--C 1.518 -0.256 0 O-C-N 121.446 -0.784 . . . . 10.0 109.219 -174.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.77 124.24 23.82 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 127.356 2.262 . . . . 10.0 111.15 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.275 38.2 p -104.1 18.89 21.13 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 122.491 1.139 . . . . 10.0 112.953 176.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.25 0.9 OUTLIER -107.84 -60.23 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 1 C-N-CA 134.279 5.032 . . . . 10.0 107.521 179.227 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.709 ' H ' HG13 ' A' ' 24' ' ' VAL . 13.3 m -74.27 172.82 11.13 Favored 'General case' 0 CA--C 1.555 1.148 0 C-N-CA 127.944 2.498 . . . . 10.0 108.192 175.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.97 99.72 10.58 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 120.951 -1.093 . . . . 10.0 109.457 174.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t0 38.96 38.1 0.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 127.041 2.136 . . . . 10.0 115.387 177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -71.98 139.3 48.55 Favored 'General case' 0 C--O 1.242 0.677 0 C-N-CA 126.056 1.742 . . . . 10.0 106.351 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.254 0.4 OUTLIER -131.88 155.73 47.35 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 118.351 -0.833 . . . . 10.0 110.478 -174.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 51.6 mt -142.87 136.06 28.32 Favored 'General case' 0 N--CA 1.442 -0.825 0 O-C-N 124.947 1.405 . . . . 10.0 109.752 171.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 26.4 p -65.02 169.22 5.55 Favored 'General case' 0 N--CA 1.439 -1.012 0 N-CA-C 106.545 -1.65 . . . . 10.0 106.545 168.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mm -55.1 -46.55 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 114.948 -1.024 . . . . 10.0 111.498 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -66.07 -44.13 85.37 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 123.093 0.557 . . . . 10.0 112.227 -178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 13.5 m -64.89 -43.07 94.1 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 109.295 -0.631 . . . . 10.0 109.295 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -56.17 -49.6 73.54 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.852 . . . . 10.0 109.048 176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -62.17 -7.02 3.51 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 127.371 2.269 . . . . 10.0 115.301 178.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.1 p -129.66 -49.59 1.15 Allowed 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.712 1.142 . . . . 10.0 110.63 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -65.03 -11.42 38.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.593 1.957 . . . . 10.0 111.461 176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.7 m 42.4 46.97 4.18 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.149 1.78 . . . . 10.0 113.846 172.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 112.08 2.94 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 105.723 -1.954 . . . . 10.0 105.723 178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.57 2.94 54.48 Favored 'General case' 0 N--CA 1.447 -0.622 0 C-N-CA 124.374 1.07 . . . . 10.0 113.25 -169.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.7 m170 -81.59 170.75 15.47 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 119.998 -1.689 . . . . 10.0 113.625 -173.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.22 103.03 3.23 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 108.263 -1.014 . . . . 10.0 108.263 179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.5 mtp -103.79 -174.87 2.64 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.66 1.584 . . . . 10.0 109.794 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.4 m -137.86 171.11 16.23 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.605 0 C-N-CA 131.367 3.867 . . . . 10.0 102.855 172.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -140.91 136.98 32.81 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 103.28 -2.859 . . . . 10.0 103.28 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -129.66 128.47 42.66 Favored 'General case' 0 CA--C 1.504 -0.811 0 N-CA-C 102.788 -3.041 . . . . 10.0 102.788 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.64 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -148.86 143.55 11.08 Favored Glycine 0 CA--C 1.497 -1.077 0 N-CA-C 111.983 -0.447 . . . . 10.0 111.983 -172.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -140.12 -16.86 0.95 Allowed 'General case' 0 CA--C 1.536 0.414 0 O-C-N 126.323 1.837 . . . . 10.0 113.518 -172.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.23 -51.9 0.03 OUTLIER Glycine 0 C--N 1.342 0.908 0 CA-C-N 121.151 1.796 . . . . 10.0 113.604 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -119.59 74.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 106.329 -1.73 . . . . 10.0 106.329 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.603 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.8 t70 . . . . . 0 C--O 1.259 1.587 0 CA-C-O 115.795 -2.05 . . . . 10.0 109.744 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.142 0 N-CA-C 109.994 -1.242 . . . . 10.0 109.994 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -151.08 149.95 30.12 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.923 -1.339 . . . . 10.0 112.926 -178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -145.74 158.3 43.87 Favored 'General case' 0 CA--C 1.538 0.485 1 C-N-CA 131.866 4.066 . . . . 10.0 104.417 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.88 -19.07 10.47 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 119.951 -1.718 . . . . 10.0 113.914 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.8 10.64 0.94 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 121.587 1.994 . . . . 10.0 111.571 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 t -133.72 154.06 37.77 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.368 0 CA-C-O 123.29 1.519 . . . . 10.0 108.087 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -155.97 -170.63 3.46 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 125.508 1.523 . . . . 10.0 107.971 -171.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.56 172.29 12.7 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 125.673 1.589 . . . . 10.0 108.672 174.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 15.8 t -119.08 108.17 14.39 Favored 'General case' 0 C--N 1.323 -0.583 1 N-CA-C 97.909 -4.848 . . . . 10.0 97.909 169.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -68.7 0.22 4.49 Favored 'General case' 0 N--CA 1.443 -0.807 0 O-C-N 120.415 -1.428 . . . . 10.0 111.143 179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -25.77 16.57 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 120.887 -1.133 . . . . 10.0 111.193 170.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.1 m -98.24 -21.71 16.54 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 118.706 0.684 . . . . 10.0 110.326 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.15 40.97 14.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 128.293 2.637 . . . . 10.0 109.681 -172.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -129.7 163.85 25.24 Favored 'General case' 0 N--CA 1.444 -0.773 0 N-CA-C 106.001 -1.851 . . . . 10.0 106.001 173.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.28 151.38 47.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 127.021 2.129 . . . . 10.0 110.416 -179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 m -147.2 160.34 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 126.068 1.747 . . . . 10.0 107.282 173.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.43 -21.27 15.43 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.195 -0.941 . . . . 10.0 110.391 178.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.615 HG21 ' HA ' ' A' ' 52' ' ' ASP . 89.5 m -134.83 128.83 33.48 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 126.275 1.83 . . . . 10.0 106.993 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -141.29 166.53 24.51 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 122.002 0.906 . . . . 10.0 110.5 -178.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 80.5 m95 -103.16 141.09 36.45 Favored 'General case' 0 C--N 1.314 -0.944 1 N-CA-C 98.942 -4.466 . . . . 10.0 98.942 168.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -136.79 120.46 17.27 Favored 'General case' 0 N--CA 1.447 -0.588 0 O-C-N 121.494 -0.754 . . . . 10.0 109.674 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.1 m -67.47 119.57 12.5 Favored 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 126.559 1.944 . . . . 10.0 111.262 175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.6 p -99.46 15.93 24.85 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 122.168 0.985 . . . . 10.0 113.19 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.823 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -99.75 -61.88 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.948 1 C-N-CA 133.871 4.868 . . . . 10.0 107.343 178.152 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.669 ' H ' HG13 ' A' ' 24' ' ' VAL . 4.5 m -76.5 172.65 12.62 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 128.432 2.693 . . . . 10.0 110.546 175.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -80.19 93.05 5.78 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.067 0.947 . . . . 10.0 109.945 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.1 t70 44.15 33.93 0.9 Allowed 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 126.955 2.102 . . . . 10.0 115.172 176.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -66.18 143.81 57.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 125.667 1.587 . . . . 10.0 106.818 177.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.262 0.1 OUTLIER -131.81 162.13 31.26 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 118.402 -0.809 . . . . 10.0 111.928 -175.298 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 37.6 mt -145.58 133.33 21.1 Favored 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.672 1.232 . . . . 10.0 109.806 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.5 p -65.35 167.65 8.21 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 106.993 -1.484 . . . . 10.0 106.993 168.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.437 HD11 HG22 ' A' ' 18' ' ' THR . 9.0 mm -54.41 -46.11 70.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.62 -1.173 . . . . 10.0 111.663 -176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.69 -46.11 91.11 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.044 1.338 . . . . 10.0 112.563 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 62.6 m -70.19 -40.42 74.65 Favored 'General case' 0 N--CA 1.443 -0.78 0 O-C-N 124.244 0.965 . . . . 10.0 110.228 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -57.62 -43.62 84.92 Favored 'General case' 0 CA--C 1.555 1.162 0 CA-C-N 119.068 0.849 . . . . 10.0 109.692 175.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -64.92 -14.13 58.97 Favored 'General case' 0 C--N 1.344 0.365 0 C-N-CA 126.919 2.088 . . . . 10.0 114.837 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 39.4 p -132.05 -49.36 0.94 Allowed 'General case' 0 C--N 1.341 0.238 0 CA-C-N 119.978 1.263 . . . . 10.0 114.307 -174.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -63.45 -13.19 37.78 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 124.943 1.297 . . . . 10.0 111.788 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.1 m 44.78 42.29 5.85 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.681 1.593 . . . . 10.0 114.733 172.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -69.19 86.89 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 105.471 -2.048 . . . . 10.0 105.471 176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.5 11.12 0.05 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 128.877 2.871 . . . . 10.0 117.731 -169.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.823 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.7 m170 -84.85 172.73 11.18 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-N 121.577 1.99 . . . . 10.0 114.017 -173.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.99 108.66 7.86 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 107.512 -1.292 . . . . 10.0 107.512 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 14.3 mtp -109.89 -176.04 2.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.18 -1.373 . . . . 10.0 110.413 -176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.3 m -136.49 176.55 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.074 0 C-N-CA 131.628 3.971 . . . . 10.0 102.944 171.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -144.3 140.76 29.36 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 104.139 -2.541 . . . . 10.0 104.139 179.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -131.95 135.76 46.83 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 102.79 -3.041 . . . . 10.0 102.79 179.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.56 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -150.3 146.77 16.21 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 109.952 -1.259 . . . . 10.0 109.952 -171.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.28 -19.3 0.49 Allowed 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 126.339 1.846 . . . . 10.0 114.187 -175.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.74 -37.86 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 CA-C-O 118.138 -1.368 . . . . 10.0 115.111 -178.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -134.37 61.22 1.68 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.968 1.384 . . . . 10.0 107.811 -176.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.615 ' HA ' HG21 ' A' ' 18' ' ' THR . 5.1 t70 . . . . . 0 C--O 1.257 1.496 0 CA-C-O 117.405 -1.284 . . . . 10.0 112.173 -178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.165 0 N-CA-C 110.236 -1.145 . . . . 10.0 110.236 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.31 164.03 36.78 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 119.748 1.774 . . . . 10.0 112.191 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -156.56 172.22 18.94 Favored 'General case' 0 C--O 1.241 0.628 1 C-N-CA 133.119 4.567 . . . . 10.0 103.382 176.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -24.45 66.56 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 119.731 -1.856 . . . . 10.0 112.797 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -148.25 17.54 1.07 Allowed 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 121.477 1.944 . . . . 10.0 113.033 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -136.23 152.26 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 125.682 1.593 . . . . 10.0 107.112 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -158.39 -168.63 2.51 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 127.389 2.276 . . . . 10.0 106.744 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.81 171.51 13.05 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 125.114 1.366 . . . . 10.0 109.238 175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -119.83 106.9 12.53 Favored 'General case' 0 N--CA 1.443 -0.778 1 N-CA-C 98.184 -4.747 . . . . 10.0 98.184 168.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -66.05 -0.91 2.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 118.85 0.75 . . . . 10.0 111.003 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -97.35 -25.77 15.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.011 -0.995 . . . . 10.0 112.167 171.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.7 m -96.26 -23.36 16.72 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 109.299 -0.63 . . . . 10.0 109.299 173.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.24 45.09 23.54 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 127.923 2.489 . . . . 10.0 109.217 -171.167 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -133.68 164.2 27.73 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 128.6 2.76 . . . . 10.0 106.896 177.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 154.28 40.36 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 113.826 -1.534 . . . . 10.0 111.083 -178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.8 m -148.75 161.31 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 126.766 2.027 . . . . 10.0 105.806 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 -17.63 15.51 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 120.125 -1.609 . . . . 10.0 111.379 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.68 HG22 HD11 ' A' ' 32' ' ' ILE . 52.2 m -136.39 136.34 39.52 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 128.058 2.543 . . . . 10.0 105.637 179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -148.28 166.19 28.73 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 120.623 -1.298 . . . . 10.0 110.92 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.53 ' HE1' HD12 ' A' ' 32' ' ' ILE . 84.8 m95 -101.21 137.7 39.22 Favored 'General case' 0 N--CA 1.443 -0.785 0 N-CA-C 100.779 -3.786 . . . . 10.0 100.779 167.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -135.25 121.3 19.97 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.163 -1.051 . . . . 10.0 108.163 -174.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.5 120.74 17.52 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.236 1.414 . . . . 10.0 111.165 177.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.6 p -100.8 16.69 24.22 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.218 1.008 . . . . 10.0 112.859 176.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.809 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.8 OUTLIER -105.24 -59.45 3.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.438 1 C-N-CA 134.648 5.179 . . . . 10.0 106.351 178.09 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.692 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.7 m -75.24 170.01 16.91 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 126.239 1.815 . . . . 10.0 107.322 175.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -80.53 92.04 5.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.509 0.723 . . . . 10.0 109.586 176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 t70 46.1 31.78 1.25 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 126.111 1.765 . . . . 10.0 115.193 177.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -65.14 144.72 57.03 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.43 160.47 35.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 118.89 -0.576 . . . . 10.0 111.431 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 49.7 mt -146.63 135.56 22.41 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 124.071 0.948 . . . . 10.0 110.601 169.35 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.6 p -66.77 167.36 11.45 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 105.838 -1.912 . . . . 10.0 105.838 169.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.68 HD11 HG22 ' A' ' 18' ' ' THR . 9.1 mm -58.08 -46.9 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 114.622 -1.172 . . . . 10.0 111.437 -175.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -65.03 -39.58 93.57 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.253 1.021 . . . . 10.0 111.99 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 17.7 m -70.11 -45.29 67.23 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 176.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -56.02 -43.43 77.76 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.035 -1.041 . . . . 10.0 109.836 178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.52 -13.42 21.04 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.018 1.727 . . . . 10.0 115.587 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.9 p -126.75 -45.99 1.59 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.785 1.175 . . . . 10.0 111.761 -174.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -68.19 -3.8 11.84 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 126.193 1.797 . . . . 10.0 112.297 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.1 m 40.8 48.88 2.78 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.71 2.004 . . . . 10.0 115.014 174.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -63.82 107.65 1.26 Allowed 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 106.873 -1.528 . . . . 10.0 106.873 177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.86 3.61 47.73 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 115.449 1.648 . . . . 10.0 115.449 -169.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.809 ' CB ' HG11 ' A' ' 24' ' ' VAL . 12.0 m170 -89.69 172.01 9.24 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.856 1.428 . . . . 10.0 114.856 -172.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -74.45 87.62 2.08 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.392 -0.595 . . . . 10.0 109.392 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 6.8 mtp -83.72 -171.98 3.89 Favored 'General case' 0 C--O 1.249 1.056 0 C-N-CA 124.211 1.004 . . . . 10.0 109.479 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.0 m -133.81 175.69 10.69 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.183 1 C-N-CA 131.726 4.011 . . . . 10.0 102.056 169.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 1.3 tmtp? -141.04 133.43 28.3 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 103.31 -2.848 . . . . 10.0 103.31 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -123.81 118.16 26.52 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 101.075 -3.676 . . . . 10.0 101.075 176.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.611 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -139.71 143.14 13.43 Favored Glycine 0 CA--C 1.503 -0.691 0 N-CA-C 110.919 -0.872 . . . . 10.0 110.919 -175.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.9 mt -144.22 1.75 1.11 Allowed 'General case' 0 C--O 1.238 0.49 0 O-C-N 125.842 1.554 . . . . 10.0 112.503 -174.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -178.51 -38.53 0.06 OUTLIER Glycine 0 C--N 1.342 0.867 0 CA-C-N 120.715 1.598 . . . . 10.0 115.77 175.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.3 tp -87.01 -16.68 34.97 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 119.233 1.516 . . . . 10.0 114.158 -174.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 C-N-CA 127.92 2.488 . . . . 10.0 106.855 -179.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.163 -0.775 . . . . 10.0 111.163 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.41 169.1 20.94 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.298 -1.119 . . . . 10.0 113.451 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -157.06 160.7 39.18 Favored 'General case' 0 CA--C 1.548 0.876 1 C-N-CA 135.673 5.589 . . . . 10.0 102.445 176.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -22.5 47.4 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 116.801 -1.571 . . . . 10.0 114.271 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -143.15 2.95 1.34 Allowed 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 120.406 1.457 . . . . 10.0 113.557 177.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.84 158.83 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 105.472 -2.048 . . . . 10.0 105.472 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.453 ' CG ' ' HD3' ' A' ' 19' ' ' ARG . 62.4 m-85 -156.8 -163.5 1.43 Allowed 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.247 1.419 . . . . 10.0 107.572 -173.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.68 163.78 25.37 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.248 -0.907 . . . . 10.0 110.324 177.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 11.4 t -104.95 111.63 24.47 Favored 'General case' 0 N--CA 1.45 -0.457 1 N-CA-C 97.393 -5.04 . . . . 10.0 97.393 166.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' H ' ' HB2' ' A' ' 29' ' ' ASP . 46.1 t30 -67.8 -1.17 4.98 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 119.158 0.89 . . . . 10.0 111.616 178.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.3 -28.04 15.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 120.847 -1.158 . . . . 10.0 111.579 169.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.5 m -94.31 -21.31 19.07 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 118.997 0.817 . . . . 10.0 110.401 177.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.0 46.17 15.78 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 127.245 2.218 . . . . 10.0 108.423 -172.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -136.79 159.89 40.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 C-N-CA 129.301 3.04 . . . . 10.0 106.995 178.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -76.24 144.91 40.1 Favored 'General case' 0 N--CA 1.444 -0.727 0 C-N-CA 124.73 1.212 . . . . 10.0 112.479 -177.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.0 m -143.77 149.69 17.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.335 0 C-N-CA 125.762 1.625 . . . . 10.0 107.659 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -89.3 -23.98 22.15 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.937 1.295 . . . . 10.0 111.331 176.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.626 HG23 ' HA2' ' A' ' 48' ' ' GLY . 12.2 m -129.1 134.39 48.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 126.391 1.876 . . . . 10.0 108.046 -176.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.453 ' HD3' ' CG ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -151.57 165.2 35.0 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 122.067 0.936 . . . . 10.0 112.998 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.535 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.2 m95 -103.44 134.65 46.45 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 101.113 -3.662 . . . . 10.0 101.113 169.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.61 122.81 22.84 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 -173.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.82 121.82 19.65 Favored 'General case' 0 N--CA 1.439 -0.979 0 C-N-CA 125.682 1.593 . . . . 10.0 111.326 177.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . 0.277 44.7 p -103.76 17.16 24.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-O 122.358 1.075 . . . . 10.0 111.566 177.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -107.01 -59.65 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 1 C-N-CA 134.534 5.134 . . . . 10.0 107.292 179.142 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.697 ' H ' HG13 ' A' ' 24' ' ' VAL . 16.5 m -75.32 171.26 14.52 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 126.382 1.873 . . . . 10.0 108.338 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.99 89.29 4.15 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 124.031 0.932 . . . . 10.0 108.677 175.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 46.88 36.28 3.84 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.864 1.666 . . . . 10.0 114.619 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -70.25 145.02 51.63 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.953 -1.128 . . . . 10.0 107.953 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' H ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -131.19 161.85 31.26 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 122.855 0.462 . . . . 10.0 111.396 -175.376 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.9 mt -149.61 133.96 17.4 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.16 0.984 . . . . 10.0 109.999 169.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 29.6 p -66.84 170.19 6.95 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 168.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.535 HD12 ' HE1' ' A' ' 20' ' ' TRP . 9.3 mm -55.27 -46.19 77.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 C-N-CA 123.548 0.739 . . . . 10.0 112.12 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -63.87 -46.17 86.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.414 0.686 . . . . 10.0 111.669 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.6 m -68.25 -42.66 79.36 Favored 'General case' 0 N--CA 1.444 -0.774 0 O-C-N 123.633 0.583 . . . . 10.0 109.428 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -54.41 -47.06 73.2 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.946 -1.096 . . . . 10.0 109.294 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -63.19 -17.4 62.36 Favored 'General case' 0 C--N 1.345 0.401 0 C-N-CA 126.675 1.99 . . . . 10.0 115.094 178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 50.4 p -129.17 -0.06 5.17 Favored 'General case' 0 N--CA 1.465 0.325 0 N-CA-C 114.266 1.21 . . . . 10.0 114.266 -174.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -121.01 10.65 10.83 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.558 0.743 . . . . 10.0 111.284 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.7 m 31.69 48.97 0.1 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.889 2.476 . . . . 10.0 115.942 174.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.3 110.03 3.37 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 104.871 -2.27 . . . . 10.0 104.871 175.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.56 1.24 55.65 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.415 1.086 . . . . 10.0 113.26 -168.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.815 ' CB ' HG11 ' A' ' 24' ' ' VAL . 11.5 m170 -84.23 171.2 12.98 Favored 'General case' 0 N--CA 1.448 -0.572 0 O-C-N 120.622 -1.299 . . . . 10.0 112.786 -173.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -75.9 91.56 3.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 CA-C-O 122.824 1.297 . . . . 10.0 110.237 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.1 mtp -85.13 -170.16 2.99 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 125.03 1.332 . . . . 10.0 109.08 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.85 177.57 5.93 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 1 C-N-CA 132.585 4.354 . . . . 10.0 103.098 170.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -141.92 133.88 27.38 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 104.5 -2.407 . . . . 10.0 104.5 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -127.61 118.87 24.71 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 102.026 -3.324 . . . . 10.0 102.026 176.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.626 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -132.49 126.98 4.7 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 109.521 -1.432 . . . . 10.0 109.521 -174.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -132.69 10.52 4.34 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 125.62 1.424 . . . . 10.0 112.342 -177.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -176.44 -9.17 0.02 OUTLIER Glycine 0 C--N 1.34 0.766 0 CA-C-O 115.198 -3.001 . . . . 10.0 118.138 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.7 tp -141.14 -3.5 1.21 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 121.656 2.728 . . . . 10.0 116.805 -173.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.122 0 C-N-CA 127.069 2.147 . . . . 10.0 106.374 179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.196 0 N-CA-C 111.135 -0.786 . . . . 10.0 111.135 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -146.99 161.53 40.6 Favored 'General case' 0 C--N 1.348 0.529 0 O-C-N 121.182 -1.187 . . . . 10.0 111.468 179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.438 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 22.2 t70 -141.82 -158.65 0.88 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.507 2.323 . . . . 10.0 108.021 -177.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.438 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -70.18 -47.32 62.06 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.776 1.626 . . . . 10.0 110.031 177.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -145.44 16.93 1.5 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.922 0.889 . . . . 10.0 110.902 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -125.4 156.15 34.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 127.233 2.213 . . . . 10.0 105.183 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -154.37 -175.78 5.57 Favored 'General case' 0 N--CA 1.439 -0.986 0 C-N-CA 127.366 2.266 . . . . 10.0 108.101 -172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.65 170.82 10.58 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 173.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 14.1 t -114.87 109.34 18.01 Favored 'General case' 0 N--CA 1.444 -0.774 1 N-CA-C 97.296 -5.075 . . . . 10.0 97.296 167.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -67.01 -1.03 3.6 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 120.703 1.592 . . . . 10.0 111.714 178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -94.66 -26.01 16.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-O 117.412 -1.28 . . . . 10.0 111.724 170.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 56.8 m -97.99 -19.58 17.94 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.334 0.97 . . . . 10.0 109.573 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.87 40.15 12.17 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 126.649 1.98 . . . . 10.0 109.058 -171.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.4 161.91 32.45 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 127.054 2.141 . . . . 10.0 107.178 177.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -76.5 147.43 37.81 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.436 1.094 . . . . 10.0 112.269 -177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.9 m -142.69 162.57 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 128.178 2.591 . . . . 10.0 107.012 179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.57 -18.97 15.03 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.198 0.999 . . . . 10.0 110.835 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.603 HG23 ' HA2' ' A' ' 48' ' ' GLY . 99.5 m -135.48 133.87 38.95 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.022 -1.844 . . . . 10.0 106.022 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -146.64 167.44 23.77 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.433 1.111 . . . . 10.0 110.232 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.611 ' HE1' HD12 ' A' ' 32' ' ' ILE . 82.9 m95 -103.68 143.85 32.23 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 100.4 -3.926 . . . . 10.0 100.4 168.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -140.74 121.82 14.68 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 121.092 -1.005 . . . . 10.0 109.15 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.11 118.64 13.19 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 128.531 2.733 . . . . 10.0 110.556 177.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.3 p -90.63 1.87 56.4 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-N 115.35 -0.841 . . . . 10.0 112.531 176.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG11 ' CB ' ' A' ' 42' ' ' HIS . 0.6 OUTLIER -90.36 -61.49 1.92 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.298 1 C-N-CA 132.011 4.124 . . . . 10.0 106.984 -177.901 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.649 ' H ' HG13 ' A' ' 24' ' ' VAL . 12.3 m -75.64 172.65 12.23 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 128.685 2.794 . . . . 10.0 109.432 178.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -79.99 89.14 5.33 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.888 1.275 . . . . 10.0 108.897 175.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.7 t0 45.16 40.3 4.77 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 126.325 1.85 . . . . 10.0 114.133 177.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -73.24 140.83 47.15 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.56 -1.274 . . . . 10.0 107.56 179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.259 0.3 OUTLIER -127.85 160.38 31.98 Favored 'General case' 0 CA--C 1.497 -1.059 0 CA-C-O 118.731 -0.652 . . . . 10.0 110.896 -173.562 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 35.7 mt -147.95 134.27 19.54 Favored 'General case' 0 N--CA 1.441 -0.897 0 O-C-N 124.427 1.079 . . . . 10.0 110.57 169.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.0 p -66.19 166.53 11.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 106.547 -1.649 . . . . 10.0 106.547 168.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.611 HD12 ' HE1' ' A' ' 20' ' ' TRP . 11.8 mm -52.98 -47.88 52.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 CA-C-N 115.346 -0.843 . . . . 10.0 111.834 -177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.04 -44.09 93.54 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.756 0.66 . . . . 10.0 111.708 -176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.25 -43.44 81.89 Favored 'General case' 0 N--CA 1.441 -0.904 0 O-C-N 123.559 0.537 . . . . 10.0 109.814 178.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -58.89 -43.0 90.88 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.823 1.192 . . . . 10.0 109.567 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -65.06 -11.52 40.43 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 126.06 1.744 . . . . 10.0 114.89 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 31.9 p -130.75 -47.62 1.04 Allowed 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 120.113 1.324 . . . . 10.0 113.509 -175.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.22 -6.95 7.68 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.313 1.445 . . . . 10.0 112.233 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.6 m 44.02 42.99 5.17 Favored 'General case' 0 N--CA 1.462 0.156 0 C-N-CA 126.368 1.867 . . . . 10.0 113.563 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.91 63.29 2.23 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 125.916 1.686 . . . . 10.0 107.937 177.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 m -63.06 23.83 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.739 2.816 . . . . 10.0 115.056 -171.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.771 ' CB ' HG11 ' A' ' 24' ' ' VAL . 18.3 m170 -78.71 176.83 9.15 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 118.276 -2.765 . . . . 10.0 111.213 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.76 112.47 13.37 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 107.242 -1.392 . . . . 10.0 107.242 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.8 mtp -111.58 -177.47 3.2 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 113.853 -1.521 . . . . 10.0 111.362 -178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.4 m -133.93 173.12 15.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 C-N-CA 131.119 3.767 . . . . 10.0 103.018 172.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 52' ' ' ASP . 0.7 OUTLIER -142.11 131.08 23.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 104.289 -2.486 . . . . 10.0 104.289 -177.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -126.19 109.57 12.48 Favored 'General case' 0 CA--C 1.503 -0.859 0 N-CA-C 102.599 -3.111 . . . . 10.0 102.599 178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.603 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -126.65 136.44 9.46 Favored Glycine 0 N--CA 1.443 -0.869 0 N-CA-C 109.683 -1.367 . . . . 10.0 109.683 -174.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -142.36 6.6 1.71 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.116 1.366 . . . . 10.0 112.259 -177.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -168.41 -23.35 0.02 OUTLIER Glycine 0 CA--C 1.537 1.407 0 CA-C-O 115.835 -2.647 . . . . 10.0 117.289 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.1 mt -126.25 -14.59 5.91 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 121.333 2.566 . . . . 10.0 116.47 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.277 0 N-CA-C 105.756 -1.942 . . . . 10.0 105.756 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.403 ' H3 ' ' CG ' ' A' ' 29' ' ' ASP . . . . . . . . 0 N--CA 1.479 1.501 0 N-CA-C 109.936 -1.266 . . . . 10.0 109.936 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.604 ' NE2' HH22 ' A' ' 19' ' ' ARG . 18.5 pt20 -151.92 158.49 43.25 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 115.214 1.561 . . . . 10.0 115.214 -178.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -143.76 178.74 7.61 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 130.832 3.653 . . . . 10.0 107.584 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -34.29 67.56 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 10.0 113.448 -179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -151.9 14.84 0.64 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.492 1.117 . . . . 10.0 110.737 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 t -130.33 147.2 33.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.832 1.653 . . . . 10.0 106.709 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB3' ' CD ' ' A' ' 19' ' ' ARG . 44.1 m-85 -153.42 -166.65 2.48 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.111 1.364 . . . . 10.0 108.86 -173.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.94 168.31 19.57 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 125.271 1.428 . . . . 10.0 110.147 176.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.5 t -115.36 106.66 14.26 Favored 'General case' 0 N--CA 1.437 -1.113 1 N-CA-C 98.526 -4.62 . . . . 10.0 98.526 167.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -65.34 0.98 1.22 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 118.778 0.717 . . . . 10.0 111.651 179.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -99.56 -24.98 14.58 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 117.774 -1.107 . . . . 10.0 112.547 171.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.8 m -95.42 -23.51 17.11 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.307 0.643 . . . . 10.0 109.383 173.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.13 36.74 16.37 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 128.093 2.557 . . . . 10.0 109.893 -171.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 51.9 t60 -125.04 162.51 24.39 Favored 'General case' 0 C--O 1.242 0.701 0 C-N-CA 127.781 2.432 . . . . 10.0 106.269 174.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 154.32 42.12 Favored 'General case' 0 N--CA 1.439 -0.99 0 C-N-CA 125.651 1.58 . . . . 10.0 112.163 -179.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.2 m -147.76 163.34 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 125.78 1.632 . . . . 10.0 107.58 174.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -21.07 13.29 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.378 1.071 . . . . 10.0 110.121 178.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.684 HG21 ' HA ' ' A' ' 52' ' ' ASP . 86.1 m -135.75 137.69 41.93 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 125.964 1.705 . . . . 10.0 106.797 179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.604 HH22 ' NE2' ' A' ' 2' ' ' GLN . 4.0 ptt-85 -154.32 171.77 18.74 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 120.656 -1.277 . . . . 10.0 111.586 -175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' HE1' HD12 ' A' ' 32' ' ' ILE . 75.5 m95 -108.7 139.19 43.84 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 101.767 -3.42 . . . . 10.0 101.767 169.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -135.92 122.01 20.2 Favored 'General case' 0 C--O 1.222 -0.368 0 C-N-CA 123.1 0.56 . . . . 10.0 109.644 -174.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -69.79 122.19 18.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 126.827 2.051 . . . . 10.0 111.018 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.3 p -101.6 20.18 16.63 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 122.485 1.135 . . . . 10.0 112.98 177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.821 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.262 1.3 p -111.43 -67.87 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.187 1 C-N-CA 134.124 4.97 . . . . 10.0 106.742 -179.459 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.796 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.9 m -67.91 160.8 27.8 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.815 2.046 . . . . 10.0 107.473 174.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.1 102.04 3.45 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.056 0.543 . . . . 10.0 110.376 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.2 t70 37.14 39.94 0.15 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 128.512 2.725 . . . . 10.0 114.43 178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -75.1 145.54 42.17 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 125.695 1.598 . . . . 10.0 106.747 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.403 ' CG ' ' H3 ' ' A' ' 1' ' ' GLY . 0.6 OUTLIER -138.46 163.63 31.44 Favored 'General case' 0 CA--C 1.51 -0.59 0 O-C-N 121.159 -0.963 . . . . 10.0 110.6 -177.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.4 mt -146.16 139.77 26.16 Favored 'General case' 0 C--O 1.244 0.78 0 C-N-CA 125.529 1.532 . . . . 10.0 110.649 172.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.9 p -67.54 166.38 14.96 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 106.781 -1.563 . . . . 10.0 106.781 169.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 HD11 HG22 ' A' ' 18' ' ' THR . 9.2 mm -54.4 -47.09 70.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 114.844 -1.071 . . . . 10.0 113.316 -177.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -65.9 -40.01 91.13 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 123.445 0.698 . . . . 10.0 111.464 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 14.7 m -68.89 -45.83 69.94 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.687 -0.673 . . . . 10.0 109.431 176.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -54.2 -45.07 72.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 119.648 1.113 . . . . 10.0 110.144 177.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -62.67 -12.67 24.95 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.869 2.068 . . . . 10.0 114.517 178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.4 p -127.82 -46.76 1.4 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-N 119.793 1.179 . . . . 10.0 112.673 -176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -64.67 -8.03 12.92 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.909 1.684 . . . . 10.0 111.469 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.3 m 41.57 50.08 3.73 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.156 1.782 . . . . 10.0 114.701 174.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.85 115.45 7.4 Favored 'General case' 0 C--N 1.341 0.218 0 N-CA-C 105.96 -1.867 . . . . 10.0 105.96 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.06 -1.94 38.38 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 113.313 0.857 . . . . 10.0 113.313 -169.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.821 ' CB ' HG11 ' A' ' 24' ' ' VAL . 14.2 m170 -79.25 167.82 20.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 119.868 1.213 . . . . 10.0 111.529 -173.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 4.7 ttpp -69.29 107.65 3.35 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 121.042 -1.036 . . . . 10.0 108.697 178.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 8.3 mtp -101.71 -173.77 2.43 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 125.476 1.511 . . . . 10.0 109.752 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.44 170.86 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.523 1 C-N-CA 131.754 4.022 . . . . 10.0 103.111 170.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -139.51 139.5 36.95 Favored 'General case' 0 CA--C 1.502 -0.87 0 N-CA-C 103.132 -2.914 . . . . 10.0 103.132 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -132.07 134.07 45.08 Favored 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 102.107 -3.294 . . . . 10.0 102.107 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.646 ' HA2' HG23 ' A' ' 18' ' ' THR . . . -146.34 144.74 13.16 Favored Glycine 0 N--CA 1.437 -1.259 0 N-CA-C 108.929 -1.669 . . . . 10.0 108.929 -172.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.43 -22.11 0.48 Allowed 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 114.827 1.417 . . . . 10.0 114.827 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -141.84 -39.09 0.08 OUTLIER Glycine 0 N--CA 1.468 0.821 0 CA-C-N 119.911 1.232 . . . . 10.0 115.233 -177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.0 mt -135.75 69.56 1.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 106.976 -1.49 . . . . 10.0 106.976 -176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.684 ' HA ' HG21 ' A' ' 18' ' ' THR . 3.2 t70 . . . . . 0 C--O 1.255 1.347 0 CA-C-O 117.164 -1.398 . . . . 10.0 111.785 -179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.037 0 CA-C-O 122.08 0.822 . . . . 10.0 111.969 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.1 163.27 37.45 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 126.403 1.881 . . . . 10.0 109.704 -177.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' CG ' ' HE ' ' A' ' 4' ' ' ARG . 21.8 t70 -151.37 -162.78 1.61 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 127.247 2.219 . . . . 10.0 106.724 -178.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.459 ' HE ' ' CG ' ' A' ' 3' ' ' ASP . 0.0 OUTLIER -65.4 -39.49 92.25 Favored 'General case' 0 C--N 1.348 0.505 0 CA-C-N 120.513 1.506 . . . . 10.0 111.894 178.538 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 p90 -156.75 19.65 0.32 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.794 1.637 . . . . 10.0 110.022 -178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 t -127.46 157.03 39.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 104.489 -2.412 . . . . 10.0 104.489 -179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -154.81 -173.72 4.69 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 127.039 2.136 . . . . 10.0 107.822 -174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -125.25 169.67 12.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 118.898 0.772 . . . . 10.0 109.381 174.348 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 13.6 t -115.02 103.41 10.88 Favored 'General case' 0 CA--C 1.506 -0.746 1 N-CA-C 95.777 -5.638 . . . . 10.0 95.777 166.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . 0.347 0.0 OUTLIER -69.96 4.99 1.74 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 121.211 1.823 . . . . 10.0 111.966 177.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.49 -26.29 17.24 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 119.608 1.095 . . . . 10.0 109.715 168.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.0 m -95.67 -23.0 17.21 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.449 0.643 . . . . 10.0 109.477 173.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.97 43.11 30.57 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 127.937 2.495 . . . . 10.0 107.829 -172.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -135.54 160.65 37.81 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 126.27 1.828 . . . . 10.0 107.857 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -76.19 145.24 39.98 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 124.441 1.096 . . . . 10.0 111.919 -177.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 m -140.72 162.81 22.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 127.112 2.165 . . . . 10.0 106.969 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.71 -19.56 15.99 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.837 -1.164 . . . . 10.0 110.041 176.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.635 HG23 ' CA ' ' A' ' 48' ' ' GLY . 97.4 m -136.41 134.47 37.79 Favored 'General case' 0 N--CA 1.443 -0.803 0 C-N-CA 125.822 1.649 . . . . 10.0 107.551 179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -142.84 170.29 15.98 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 121.05 -1.032 . . . . 10.0 111.692 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.479 ' HE1' HD13 ' A' ' 32' ' ' ILE . 90.7 m95 -106.67 142.67 35.94 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 100.27 -3.974 . . . . 10.0 100.27 168.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.22 121.64 18.25 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.587 -0.894 . . . . 10.0 108.587 -176.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 m -67.23 118.93 11.3 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 127.638 2.375 . . . . 10.0 111.097 175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.7 p -98.97 14.62 28.48 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-O 121.963 0.887 . . . . 10.0 112.589 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.788 HG11 ' CB ' ' A' ' 42' ' ' HIS 0.255 0.7 OUTLIER -99.8 -64.57 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.963 1 C-N-CA 133.221 4.609 . . . . 10.0 105.932 177.371 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.708 ' H ' HG13 ' A' ' 24' ' ' VAL . 11.6 m -74.48 175.8 7.42 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 128.135 2.574 . . . . 10.0 110.112 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.01 75.53 6.75 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.156 1.382 . . . . 10.0 110.46 -178.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.5 t70 52.46 33.1 12.49 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-O 123.3 1.524 . . . . 10.0 113.112 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.47 138.39 58.5 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.963 1.705 . . . . 10.0 107.681 175.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . 0.276 0.1 OUTLIER -125.07 159.65 30.88 Favored 'General case' 0 CA--C 1.508 -0.656 0 N-CA-C 111.867 0.321 . . . . 10.0 111.867 -175.618 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 77.7 mt -145.63 137.03 25.02 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.249 1.02 . . . . 10.0 111.839 169.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.8 p -67.01 168.03 10.74 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 122.949 1.357 . . . . 10.0 108.255 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.479 HD13 ' HE1' ' A' ' 20' ' ' TRP . 34.4 mm -53.5 -41.92 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 O-C-N 121.051 -1.031 . . . . 10.0 112.292 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -66.43 -44.0 84.11 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 121.569 -0.707 . . . . 10.0 112.138 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 39.9 m -72.42 -39.12 68.14 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -56.6 -44.14 80.81 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.879 -1.138 . . . . 10.0 108.518 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -60.45 -56.07 25.83 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.093 1.357 . . . . 10.0 112.284 177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.0 p -90.55 -35.09 15.25 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.564 1.691 . . . . 10.0 115.564 -170.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -81.42 -6.0 58.48 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 120.935 -1.103 . . . . 10.0 109.908 178.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.8 m 34.08 40.93 0.04 OUTLIER 'General case' 0 C--N 1.347 0.49 0 C-N-CA 129.096 2.958 . . . . 10.0 114.732 177.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -64.02 95.44 0.12 Allowed 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 105.595 -2.002 . . . . 10.0 105.595 178.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.21 10.11 2.17 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 116.984 2.216 . . . . 10.0 116.984 -169.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.788 ' CB ' HG11 ' A' ' 24' ' ' VAL . 15.7 m170 -77.42 173.42 11.97 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 119.497 -2.002 . . . . 10.0 115.402 -171.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.6 100.43 1.12 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 107.697 -1.223 . . . . 10.0 107.697 177.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.0 mtp -111.06 178.53 4.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 125.539 1.535 . . . . 10.0 111.362 -175.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 m -130.36 174.31 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.993 0 C-N-CA 130.411 3.484 . . . . 10.0 103.252 171.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.32 134.37 24.07 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 103.528 -2.767 . . . . 10.0 103.528 -178.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -130.89 114.31 15.12 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 102.472 -3.158 . . . . 10.0 102.472 178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.635 ' CA ' HG23 ' A' ' 18' ' ' THR . . . -131.8 141.84 13.2 Favored Glycine 0 CA--C 1.497 -1.05 0 N-CA-C 110.776 -0.93 . . . . 10.0 110.776 -174.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -141.02 8.14 2.06 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 125.356 1.268 . . . . 10.0 111.711 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -161.77 -67.63 0.02 OUTLIER Glycine 0 C--N 1.341 0.824 0 CA-C-N 119.623 1.102 . . . . 10.0 111.959 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mp -95.22 61.38 2.41 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 105.545 -2.02 . . . . 10.0 105.545 179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 C--O 1.252 1.204 0 CA-C-O 117.738 -1.125 . . . . 10.0 111.419 -177.495 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_