data_2o10_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 2o10 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.647 -0.501 . . . . 1.3799999999999999 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.8599999999999999 108.879 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HE3' ' A' ' 38' ' ' MET . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 1.3100000000000001 110.133 176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.94999999999999996 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.8300000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.7 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 1.1799999999999999 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 2.0299999999999998 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 3.48 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 1.45 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 1.48 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 2.0600000000000001 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 1.6399999999999999 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 1.02 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 4.54 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.90000000000000002 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.95 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG21 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.68999999999999995 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.8900000000000001 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.8400000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.77 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.49 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.578 ' HE3' ' HB1' ' A' ' 12' ' ' ALA . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.45 111.236 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 1.28 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 3.2000000000000002 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 2.29 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 1.0700000000000001 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 2.02 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 2.29 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.559 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 1.3 112.129 -175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 1.1799999999999999 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 1.1299999999999999 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.1899999999999999 110.988 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.98 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 2.3799999999999999 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.27 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.9099999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.732 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 2.4100000000000001 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.509 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 1.4199999999999999 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 1.3500000000000001 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.5299999999999998 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 3.5499999999999998 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 2.3900000000000001 109.84 179.567 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.653 -0.499 . . . . 1.3799999999999999 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.8599999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 1.3100000000000001 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.94999999999999996 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.8300000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.7 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 1.1799999999999999 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 2.0299999999999998 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 3.48 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 1.45 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 1.48 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 2.0600000000000001 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HG ' HD13 ' A' ' 56' ' ' ILE . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 1.6399999999999999 108.908 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 1.02 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 4.54 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.90000000000000002 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.95 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.659 ' CD2' HG23 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.68999999999999995 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.8900000000000001 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.8400000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.77 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.49 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.45 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 1.28 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 3.2000000000000002 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 2.29 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 1.2 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 1.0700000000000001 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 2.02 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 2.29 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.748 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 1.3 112.347 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 1.1799999999999999 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 1.1299999999999999 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 1.1899999999999999 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.678 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.98 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 2.3799999999999999 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 1.27 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.9099999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.71 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 2.4100000000000001 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.71 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 1.4199999999999999 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.678 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 1.3500000000000001 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.5299999999999998 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 2.3900000000000001 110.31 -178.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 N-CA-C 109.799 -0.445 . . . . 1.3799999999999999 109.799 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.8599999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 1.3100000000000001 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.94999999999999996 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.8300000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.7 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 1.1799999999999999 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 2.0299999999999998 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 3.48 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 1.45 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 1.48 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 2.0600000000000001 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 1.6399999999999999 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 1.02 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 4.54 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.90000000000000002 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.95 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.68999999999999995 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.8900000000000001 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.8400000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.77 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.49 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.504 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.582 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.45 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 1.28 111.903 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.582 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 3.2000000000000002 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 2.29 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 1.2 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 1.0700000000000001 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 2.02 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 2.29 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 1.3 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 1.1799999999999999 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 1.1299999999999999 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 1.1899999999999999 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.895 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.98 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 2.3799999999999999 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 1.27 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.9099999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 2.4100000000000001 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.55 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 1.4199999999999999 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' ALA . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.895 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 1.3500000000000001 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.5299999999999998 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 3.5499999999999998 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 2.3900000000000001 111.254 -177.708 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.242 -0.281 . . . . 1.3799999999999999 110.242 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.8599999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 1.3100000000000001 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.94999999999999996 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.618 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.8300000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.7 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 1.1799999999999999 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 2.0299999999999998 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 3.48 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 1.45 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 1.48 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 2.0600000000000001 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 1.6399999999999999 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 1.02 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 4.54 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.90000000000000002 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.95 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.784 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.68999999999999995 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.8900000000000001 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.8400000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.784 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.77 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.49 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.525 ' N ' HD22 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.45 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 1.28 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 3.2000000000000002 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.798 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 2.29 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 1.2 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 1.0700000000000001 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 2.02 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 2.29 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 1.3 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 1.1799999999999999 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 1.1299999999999999 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 1.1899999999999999 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.543 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.98 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.588 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 2.3799999999999999 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 1.27 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.9099999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 59' ' ' LYS . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 2.4100000000000001 111.275 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' ALA . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HH ' ' HD1' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 1.3500000000000001 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.462 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.5299999999999998 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 3.5499999999999998 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 2.3900000000000001 109.849 177.752 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.882 -0.414 . . . . 1.3799999999999999 109.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.8599999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.3100000000000001 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.744 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.94999999999999996 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.744 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.8300000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.7 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.686 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 1.1799999999999999 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 2.0299999999999998 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 3.48 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 1.45 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 1.48 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 2.0600000000000001 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 1.6399999999999999 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 1.02 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 4.54 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.90000000000000002 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.95 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.686 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.68999999999999995 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.8900000000000001 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.8400000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.77 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.49 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.45 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 1.28 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 3.2000000000000002 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 2.29 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 1.2 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 1.0700000000000001 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 2.02 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 2.29 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 1.3 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 1.1799999999999999 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 1.1299999999999999 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 1.1899999999999999 110.371 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.98 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.526 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 2.3799999999999999 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 1.27 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.9099999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.58 ' HA ' HD12 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 2.4100000000000001 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 1.3500000000000001 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.5299999999999998 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 3.5499999999999998 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 2.3900000000000001 111.967 -174.508 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.461 -0.57 . . . . 1.3799999999999999 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.8599999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 1.3100000000000001 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.94999999999999996 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.8300000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.7 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 1.1799999999999999 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 2.0299999999999998 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 3.48 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 1.45 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 1.48 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 2.0600000000000001 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.615 ' HG ' HD13 ' A' ' 56' ' ' ILE . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 1.6399999999999999 109.673 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 1.02 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 4.54 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.90000000000000002 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.95 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.676 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.68999999999999995 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.8900000000000001 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.8400000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD1' HG23 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.77 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.638 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.49 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.45 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 1.28 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 3.2000000000000002 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 2.29 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 1.2 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 1.0700000000000001 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 2.02 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 2.29 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 1.3 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 1.1799999999999999 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 1.1299999999999999 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 1.1899999999999999 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.902 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.98 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.472 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 2.3799999999999999 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 1.27 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.9099999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.767 ' HA ' HD13 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 2.4100000000000001 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 1.4199999999999999 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.459 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.902 ' HH ' ' HD1' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 1.3500000000000001 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.5299999999999998 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 3.5499999999999998 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 2.3900000000000001 110.372 177.279 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.986 -0.376 . . . . 1.3799999999999999 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.8599999999999999 109.521 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 1.3100000000000001 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.94999999999999996 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.8300000000000001 110.244 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.7 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 1.1799999999999999 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 2.0299999999999998 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 3.48 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 1.45 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 1.48 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 2.0600000000000001 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 1.6399999999999999 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 1.02 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 4.54 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.90000000000000002 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.95 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.68999999999999995 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.8900000000000001 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.8400000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD1' HG22 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.77 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.49 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' N ' HD21 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.45 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 1.28 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 3.2000000000000002 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 2.29 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 1.2 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 1.0700000000000001 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 2.02 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 2.29 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 1.3 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 1.1799999999999999 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 1.1299999999999999 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 1.1899999999999999 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.98 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 2.3799999999999999 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 1.27 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.9099999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 2.4100000000000001 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.638 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 1.4199999999999999 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.7 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 1.3500000000000001 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.7 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.5299999999999998 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 3.5499999999999998 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 2.3900000000000001 110.366 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.692 -0.484 . . . . 1.3799999999999999 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.8599999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 1.3100000000000001 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.94999999999999996 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.57 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.8300000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.7 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 1.1799999999999999 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 2.0299999999999998 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 3.48 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 1.45 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 1.48 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 2.0600000000000001 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 1.6399999999999999 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 1.02 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 4.54 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.90000000000000002 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.95 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.712 ' CD2' HG21 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.68999999999999995 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.8900000000000001 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.8400000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.77 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 20.6 p-80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.49 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.431 ' N ' HD21 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.45 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 1.28 111.01 -176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.617 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 3.2000000000000002 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 2.29 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 1.2 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 1.0700000000000001 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 2.02 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 2.29 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 1.3 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 1.1799999999999999 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 1.1299999999999999 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 1.1899999999999999 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 25.9 t60 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.98 109.531 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 2.3799999999999999 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.717 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.489 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 1.27 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.717 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.9099999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.71 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 2.4100000000000001 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 1.4199999999999999 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 1.3500000000000001 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.5299999999999998 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 3.5499999999999998 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 2.3900000000000001 111.039 -178.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.732 -0.47 . . . . 1.3799999999999999 109.732 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.8599999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 1.3100000000000001 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.94999999999999996 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.589 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.8300000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.7 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.773 HG21 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 1.1799999999999999 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 2.0299999999999998 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 3.48 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 1.45 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 1.48 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 2.0600000000000001 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.562 ' HG ' HD13 ' A' ' 56' ' ' ILE . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 1.6399999999999999 110.45 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 1.02 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 4.54 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.90000000000000002 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.95 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.773 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.68999999999999995 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.8900000000000001 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.8400000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.77 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.49 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.544 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.45 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 1.28 111.949 -174.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 3.2000000000000002 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 2.29 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 1.2 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 1.0700000000000001 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 2.02 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 2.29 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.498 ' HG1' HD12 ' A' ' 44' ' ' LEU . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 1.3 113.418 -169.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.548 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 1.1799999999999999 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 1.1299999999999999 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 1.1899999999999999 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.98 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 2.3799999999999999 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' HG ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 1.27 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.9099999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.727 ' HA ' HD13 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 2.4100000000000001 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.513 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 1.4199999999999999 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.636 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 1.3500000000000001 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.636 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.5299999999999998 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 3.5499999999999998 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.141 175.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.513 -0.551 . . . . 1.3799999999999999 109.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.8599999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 1.3100000000000001 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.94999999999999996 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.8300000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.7 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 1.1799999999999999 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 2.0299999999999998 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 3.48 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 1.45 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 1.48 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 2.0600000000000001 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 1.6399999999999999 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 1.02 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 4.54 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.90000000000000002 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.95 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.675 ' CD2' HG21 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.68999999999999995 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.8900000000000001 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.8400000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.77 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.49 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' N ' HD21 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.587 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.45 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 3.2000000000000002 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 2.29 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 1.2 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 1.0700000000000001 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' OD1' HG21 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 2.02 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 HG21 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 2.29 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 1.3 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 1.1799999999999999 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 1.1299999999999999 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 1.1899999999999999 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.98 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 2.3799999999999999 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 1.27 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.61 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.9099999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 2.4100000000000001 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 1.4199999999999999 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 1.3500000000000001 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.5299999999999998 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 3.5499999999999998 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 2.3900000000000001 111.26 -174.308 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.052 -0.722 . . . . 1.3799999999999999 109.052 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.8599999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 1.3100000000000001 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.608 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.94999999999999996 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.8300000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.7 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 1.1799999999999999 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 2.0299999999999998 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 3.48 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 1.45 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 1.48 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 2.0600000000000001 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 1.6399999999999999 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 1.02 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 4.54 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.90000000000000002 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.95 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.646 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.68999999999999995 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.8900000000000001 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.8400000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.77 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.623 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.49 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' N ' HD21 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.45 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 1.28 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 3.2000000000000002 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 2.29 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 1.2 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 1.0700000000000001 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 2.02 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 2.29 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 1.3 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 1.1799999999999999 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 1.1299999999999999 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 1.1899999999999999 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.98 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 2.3799999999999999 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.462 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 1.27 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.9099999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.736 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 2.4100000000000001 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 1.4199999999999999 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 1.3500000000000001 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.5299999999999998 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 3.5499999999999998 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 2.3900000000000001 111.786 -173.129 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 N-CA-C 110.201 -0.296 . . . . 1.3799999999999999 110.201 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.8599999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB3' ' HE3' ' A' ' 38' ' ' MET . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 1.3100000000000001 110.456 178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.94999999999999996 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.8300000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.7 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.728 HG23 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 1.1799999999999999 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 2.0299999999999998 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 3.48 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 1.45 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 1.48 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 2.0600000000000001 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.58 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 1.6399999999999999 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 1.02 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 4.54 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.90000000000000002 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.95 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.728 ' CD2' HG23 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.68999999999999995 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.8900000000000001 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.8400000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.77 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.0 p-80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.49 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.475 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.45 111.385 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 1.28 111.523 -175.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 3.2000000000000002 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 2.29 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 1.2 110.3 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 1.0700000000000001 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 2.02 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 2.29 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 1.3 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 1.1799999999999999 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 1.1299999999999999 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 1.1899999999999999 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.98 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.469 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 2.3799999999999999 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 1.27 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.9099999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 2.4100000000000001 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 1.4199999999999999 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.462 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 1.3500000000000001 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.5299999999999998 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 3.5499999999999998 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 2.3900000000000001 111.993 -176.137 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.548 -0.538 . . . . 1.3799999999999999 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.8599999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.551 ' HB3' ' HE3' ' A' ' 38' ' ' MET . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 1.3100000000000001 110.594 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.679 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.94999999999999996 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.679 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.8300000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.7 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 1.1799999999999999 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 2.0299999999999998 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 3.48 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.45 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 1.48 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 2.0600000000000001 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 1.6399999999999999 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 1.02 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 4.54 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.90000000000000002 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.95 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.663 ' CD2' HG23 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.68999999999999995 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.8900000000000001 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.8400000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.77 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 13.4 p-80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.49 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.45 111.346 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 1.28 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 3.2000000000000002 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 2.29 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.2 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 1.0700000000000001 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 2.02 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 2.29 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 1.3 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.616 HG22 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 1.1799999999999999 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 1.1299999999999999 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 1.1899999999999999 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 61.2 t60 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.98 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.666 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 2.3799999999999999 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.616 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.27 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.751 ' HH ' HH12 ' A' ' 65' ' ' ARG . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.9099999999999999 110.638 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.744 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 2.4100000000000001 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 1.4199999999999999 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 1.3500000000000001 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.5299999999999998 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.751 HH12 ' HH ' ' A' ' 57' ' ' TYR . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 3.5499999999999998 111.408 -173.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 2.3900000000000001 111.415 -176.82 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.534 -0.543 . . . . 1.3799999999999999 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.8599999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB1' ' HE1' ' A' ' 38' ' ' MET . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 1.3100000000000001 110.342 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.8300000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.7 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 1.1799999999999999 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.569 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 2.0299999999999998 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.68 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 3.48 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 1.45 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 1.48 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 2.0600000000000001 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.504 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 1.6399999999999999 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 1.02 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 4.54 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.90000000000000002 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.95 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.737 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.68999999999999995 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.8900000000000001 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.8400000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.504 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.77 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.49 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.468 ' N ' HD22 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.516 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.45 111.148 176.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.524 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.28 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 3.2000000000000002 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 2.29 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 1.2 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 1.0700000000000001 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 2.02 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 2.29 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 1.3 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 1.1799999999999999 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 1.1299999999999999 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 1.1899999999999999 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.647 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.98 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 2.3799999999999999 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.544 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 1.27 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.9099999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.662 ' HA ' HD12 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 2.4100000000000001 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 1.4199999999999999 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.647 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 1.3500000000000001 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.5299999999999998 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 3.5499999999999998 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 2.3900000000000001 111.206 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.777 -0.453 . . . . 1.3799999999999999 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.8599999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.74 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 1.3100000000000001 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.94999999999999996 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.7 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 1.1799999999999999 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 2.0299999999999998 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 3.48 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 1.45 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 1.48 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 2.0600000000000001 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 1.6399999999999999 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.505 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 1.02 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 4.54 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.90000000000000002 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.95 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.68999999999999995 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.8900000000000001 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.8400000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.77 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.63 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.49 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.45 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.28 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 3.2000000000000002 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 2.29 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 1.2 112.04 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 1.0700000000000001 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 2.02 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 2.29 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 1.3 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.494 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 1.1799999999999999 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 1.1299999999999999 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 1.1899999999999999 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.51 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.98 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 2.3799999999999999 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.494 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 1.27 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.9099999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.739 ' SG ' HG21 ' A' ' 60' ' ' VAL . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 2.4100000000000001 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 1.4199999999999999 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 1.3500000000000001 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.5299999999999998 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 3.5499999999999998 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 2.3900000000000001 111.886 -175.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.465 -0.568 . . . . 1.3799999999999999 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.8599999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 1.3100000000000001 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.611 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.94999999999999996 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.8300000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.7 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 1.1799999999999999 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 2.0299999999999998 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 3.48 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 1.45 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.609 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 1.48 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 2.0600000000000001 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 1.6399999999999999 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 1.02 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.609 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 4.54 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.90000000000000002 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.95 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.736 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.68999999999999995 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.8900000000000001 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.8400000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.77 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.49 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 44' ' ' LEU . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.45 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 1.28 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 3.2000000000000002 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 2.29 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 1.2 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 1.0700000000000001 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.583 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 2.02 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 2.29 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.583 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 1.3 112.179 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 1.1799999999999999 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 1.1299999999999999 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 1.1899999999999999 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.98 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 2.3799999999999999 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.511 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 1.27 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.9099999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 2.4100000000000001 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.502 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 1.4199999999999999 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.464 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 1.3500000000000001 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.5299999999999998 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 3.5499999999999998 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 2.3900000000000001 111.52 -176.32 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.045 -0.354 . . . . 1.3799999999999999 110.045 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.8599999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 1.3100000000000001 110.99 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.673 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.94999999999999996 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.8300000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.7 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 1.1799999999999999 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 2.0299999999999998 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 3.48 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 1.45 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 1.48 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 2.0600000000000001 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.501 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 1.6399999999999999 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 1.02 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 4.54 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.90000000000000002 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.95 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.634 ' CD2' HG21 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.68999999999999995 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.606 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.8900000000000001 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.8400000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.77 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.49 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.465 ' N ' HD21 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.45 110.585 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 1.28 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 3.2000000000000002 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 2.29 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.516 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 1.2 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 1.0700000000000001 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 2.02 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 2.29 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 1.3 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG21 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 1.1799999999999999 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 1.1299999999999999 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 1.1899999999999999 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.527 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.98 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 2.3799999999999999 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 1.27 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.9099999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 2.4100000000000001 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.589 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 1.4199999999999999 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.696 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 1.3500000000000001 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.696 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.5299999999999998 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 3.5499999999999998 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 2.3900000000000001 112.234 -171.16 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.609 -0.515 . . . . 1.3799999999999999 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.8599999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 1.3100000000000001 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.592 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.94999999999999996 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.743 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.8300000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.7 111.312 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 1.1799999999999999 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 2.0299999999999998 110.158 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 3.48 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.45 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 1.48 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 2.0600000000000001 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 1.6399999999999999 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 1.02 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 4.54 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.90000000000000002 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HB2' HG23 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.95 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.68999999999999995 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.8900000000000001 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.8400000000000001 110.741 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.77 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.49 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.464 ' HE1' ' HB3' ' A' ' 12' ' ' ALA . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.45 111.176 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 1.28 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 3.2000000000000002 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 2.29 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 1.2 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.609 HD13 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 1.0700000000000001 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' HG21 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 2.02 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 2.29 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 1.3 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 1.1799999999999999 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 1.1299999999999999 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 1.1899999999999999 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.841 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.98 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 2.3799999999999999 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.792 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 1.27 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.792 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.9099999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD13 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' HB1' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 2.4100000000000001 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 1.4199999999999999 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.481 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.841 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 1.3500000000000001 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.5299999999999998 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 3.5499999999999998 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 2.3900000000000001 111.217 -175.235 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.671 0.272 . . . . 1.3799999999999999 110.739 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.8599999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 1.3100000000000001 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.94999999999999996 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.8300000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.7 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.67 HG21 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 1.1799999999999999 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 2.0299999999999998 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 3.48 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 1.48 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 2.0600000000000001 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' GLY . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 1.6399999999999999 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 1.02 111.155 -174.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 4.54 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.90000000000000002 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.95 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.67 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.68999999999999995 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.8900000000000001 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.8400000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.77 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.656 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.49 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.45 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 1.28 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.55 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 3.2000000000000002 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 2.29 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 1.2 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 HD21 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 1.0700000000000001 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 2.02 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 2.29 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 1.3 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 1.1799999999999999 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 1.1299999999999999 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 1.1899999999999999 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.984 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.98 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 2.3799999999999999 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.684 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 1.27 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.9099999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.694 ' HB2' ' HZ3' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 2.4100000000000001 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.478 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 1.4199999999999999 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.984 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 1.3500000000000001 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.5299999999999998 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 3.5499999999999998 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 2.3900000000000001 110.001 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 111.88 -0.488 . . . . 2.0299999999999998 111.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.09 -171.11 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.647 -0.501 . . . . 1.3799999999999999 109.647 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' A' ' 9' ' ' LYS . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.8599999999999999 108.879 176.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.613 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.578 ' HB1' ' HE3' ' A' ' 38' ' ' MET . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 1.3100000000000001 110.133 176.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.613 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.94999999999999996 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.538 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.8300000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.7 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.713 HG21 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 1.1799999999999999 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 2.0299999999999998 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 3.48 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 1.45 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 1.48 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 2.0600000000000001 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 1.6399999999999999 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 1.02 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 4.54 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.90000000000000002 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.95 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.713 ' CD2' HG21 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.68999999999999995 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.8900000000000001 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.8400000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.77 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.49 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.578 ' HE3' ' HB1' ' A' ' 12' ' ' ALA . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.45 111.236 177.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.501 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 1.28 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.517 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 3.2000000000000002 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 2.29 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 1.2 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 1.0700000000000001 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.559 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 2.02 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 2.29 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.559 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 1.3 112.129 -175.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.51 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 1.1799999999999999 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 1.1299999999999999 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.1899999999999999 110.988 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.98 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 2.3799999999999999 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.51 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 1.27 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.9099999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.732 ' HA ' HD12 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 2.4100000000000001 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.509 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 1.4199999999999999 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.501 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 1.3500000000000001 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.5299999999999998 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 3.5499999999999998 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 2.3900000000000001 109.84 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 111.974 -0.451 . . . . 2.0299999999999998 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.14 178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.653 -0.499 . . . . 1.3799999999999999 109.653 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.8599999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 1.3100000000000001 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.574 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.94999999999999996 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.413 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.8300000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.7 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.659 HG23 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 1.1799999999999999 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 2.0299999999999998 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 3.48 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 1.45 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.611 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 1.48 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.468 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 2.0600000000000001 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HG ' HD13 ' A' ' 56' ' ' ILE . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 1.6399999999999999 108.908 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 1.02 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.468 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 4.54 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.90000000000000002 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.95 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.659 ' CD2' HG23 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.68999999999999995 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.8900000000000001 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.8400000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.77 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.588 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.49 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.45 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 1.28 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 3.2000000000000002 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.588 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 2.29 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 1.2 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 1.0700000000000001 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.748 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 2.02 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 2.29 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.748 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 1.3 112.347 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.503 HG21 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 1.1799999999999999 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 1.1299999999999999 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 1.1899999999999999 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.678 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.98 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 2.3799999999999999 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.664 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.503 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 1.27 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.664 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.9099999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.71 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 2.4100000000000001 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.71 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 1.4199999999999999 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.678 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 1.3500000000000001 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.5299999999999998 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 3.5499999999999998 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 2.3900000000000001 110.31 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.069 -0.412 . . . . 2.0299999999999998 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.22 -176.2 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.799 -0.445 . . . . 1.3799999999999999 109.799 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.8599999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 1.3100000000000001 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.723 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.94999999999999996 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.723 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.8300000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.7 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 1.1799999999999999 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 2.0299999999999998 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 3.48 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 1.45 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.635 HD13 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 1.48 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 2.0600000000000001 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 1.6399999999999999 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 1.02 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 4.54 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.90000000000000002 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.429 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.95 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.68999999999999995 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.635 ' HA ' HD13 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.8900000000000001 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.8400000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.446 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.77 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.49 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.504 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.582 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.45 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 1.28 111.903 -176.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.45 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.582 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 3.2000000000000002 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 2.29 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.461 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 1.2 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 1.0700000000000001 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 2.02 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 2.29 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 1.3 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.444 HG22 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 1.1799999999999999 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 1.1299999999999999 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 1.1899999999999999 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.895 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.98 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 2.3799999999999999 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.444 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 1.27 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.488 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.9099999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 2.4100000000000001 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.55 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 1.4199999999999999 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 39' ' ' ALA . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.895 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 1.3500000000000001 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.5299999999999998 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 3.5499999999999998 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 2.3900000000000001 111.254 -177.708 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.519 -0.632 . . . . 2.0299999999999998 111.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.93 -170.65 1.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.242 -0.281 . . . . 1.3799999999999999 110.242 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.8599999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.465 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 1.3100000000000001 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.496 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.94999999999999996 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.618 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.8300000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.7 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.487 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 1.1799999999999999 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 2.0299999999999998 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 3.48 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 1.45 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.553 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 1.48 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 2.0600000000000001 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 1.6399999999999999 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 1.02 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.588 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 4.54 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.90000000000000002 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.95 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.784 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.68999999999999995 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.8900000000000001 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.8400000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.784 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.77 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.577 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.49 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.525 ' N ' HD22 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.45 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 1.28 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 3.2000000000000002 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.798 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 2.29 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 1.2 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.525 HD22 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 1.0700000000000001 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 2.02 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 2.29 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 1.3 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 1.1799999999999999 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 1.1299999999999999 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 1.1899999999999999 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.543 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.98 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.588 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 2.3799999999999999 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 1.27 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.9099999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.41 ' HB2' ' HZ3' ' A' ' 59' ' ' LYS . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 2.4100000000000001 111.275 -175.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 39' ' ' ALA . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HH ' ' HD1' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 1.3500000000000001 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.462 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.5299999999999998 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 3.5499999999999998 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 2.3900000000000001 109.849 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 111.326 -0.709 . . . . 2.0299999999999998 111.326 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.32 177.68 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.882 -0.414 . . . . 1.3799999999999999 109.882 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.8599999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.3100000000000001 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.744 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.94999999999999996 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.744 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.8300000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.7 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.686 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 1.1799999999999999 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 2.0299999999999998 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 3.48 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 1.45 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 1.48 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.513 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 2.0600000000000001 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.49 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 1.6399999999999999 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 1.02 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.513 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 4.54 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.90000000000000002 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.95 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.686 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.68999999999999995 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.8900000000000001 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.8400000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.77 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.49 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.45 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.495 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 1.28 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 3.2000000000000002 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 2.29 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.402 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 1.2 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.58 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 1.0700000000000001 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.47 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 2.02 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 2.29 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 1.3 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.633 HG21 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 1.1799999999999999 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 1.1299999999999999 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 1.1899999999999999 110.371 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.98 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.526 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 2.3799999999999999 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.633 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 1.27 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.9099999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.58 ' HA ' HD12 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 2.4100000000000001 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.4199999999999999 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.567 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 1.3500000000000001 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.567 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.5299999999999998 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 3.5499999999999998 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 2.3900000000000001 111.967 -174.508 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.016 -0.434 . . . . 2.0299999999999998 112.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.47 -168.86 1.95 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.461 -0.57 . . . . 1.3799999999999999 109.461 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.8599999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 1.3100000000000001 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.556 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.94999999999999996 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.8300000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.7 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.671 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 1.1799999999999999 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.544 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 2.0299999999999998 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 3.48 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 1.45 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 1.48 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 2.0600000000000001 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.615 ' HG ' HD13 ' A' ' 56' ' ' ILE . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 1.6399999999999999 109.673 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 1.02 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 4.54 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.90000000000000002 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.95 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.676 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.68999999999999995 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.608 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.8900000000000001 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.8400000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.597 ' CD1' HG23 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.77 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.638 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.49 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.659 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.45 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 1.28 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.659 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 3.2000000000000002 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 2.29 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 1.2 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD13 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 1.0700000000000001 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 2.02 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 2.29 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 1.3 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 1.1799999999999999 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 1.1299999999999999 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 1.1899999999999999 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.902 ' HD1' ' HH ' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.98 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 2.3799999999999999 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.465 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.615 HD13 ' HG ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 1.27 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.9099999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.767 ' HA ' HD13 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 2.4100000000000001 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 1.4199999999999999 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.459 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.902 ' HH ' ' HD1' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 1.3500000000000001 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.5299999999999998 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 3.5499999999999998 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 2.3900000000000001 110.372 177.279 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.28 -0.328 . . . . 2.0299999999999998 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.43 -172.78 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.986 -0.376 . . . . 1.3799999999999999 109.986 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.8599999999999999 109.521 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.607 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 1.3100000000000001 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.607 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.94999999999999996 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.8300000000000001 110.244 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.7 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.629 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 1.1799999999999999 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.46 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 2.0299999999999998 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 3.48 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 1.45 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.63 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 1.48 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 2.0600000000000001 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 1.6399999999999999 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 1.02 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 4.54 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.90000000000000002 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.95 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.629 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.68999999999999995 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.63 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.8900000000000001 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.8400000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' CD1' HG22 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.77 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.562 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.49 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' N ' HD21 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.45 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 1.28 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.473 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 3.2000000000000002 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.562 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 2.29 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 1.2 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 1.0700000000000001 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 2.02 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 2.29 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 1.3 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.418 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 1.1799999999999999 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.497 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 1.1299999999999999 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 1.1899999999999999 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.98 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 2.3799999999999999 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.418 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 1.27 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.9099999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.638 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 2.4100000000000001 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.638 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 1.4199999999999999 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.7 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.448 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 1.3500000000000001 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.7 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.5299999999999998 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 3.5499999999999998 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.448 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 2.3900000000000001 110.366 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.999 -0.44 . . . . 2.0299999999999998 111.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.64 179.73 6.15 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.692 -0.484 . . . . 1.3799999999999999 109.692 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.8599999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.605 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 1.3100000000000001 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.605 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.94999999999999996 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.57 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.8300000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.7 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.712 HG21 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 1.1799999999999999 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 2.0299999999999998 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 3.48 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 1.45 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 1.48 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.421 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 2.0600000000000001 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 1.6399999999999999 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 1.02 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 4.54 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.90000000000000002 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.95 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.712 ' CD2' HG21 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.68999999999999995 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.8900000000000001 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.8400000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.413 ' O ' HD12 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.77 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.591 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 20.6 p-80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.49 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.431 ' N ' HD21 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.45 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 1.28 111.01 -176.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.617 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 3.2000000000000002 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.591 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 2.29 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 1.2 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 1.0700000000000001 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 2.02 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 2.29 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 1.3 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 1.1799999999999999 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 1.1299999999999999 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 1.1899999999999999 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 25.9 t60 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.98 109.531 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.504 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 2.3799999999999999 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.717 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.489 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 1.27 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.717 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.9099999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.71 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 2.4100000000000001 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.533 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 1.4199999999999999 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 1.3500000000000001 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.5299999999999998 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 3.5499999999999998 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 2.3900000000000001 111.039 -178.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.581 -0.608 . . . . 2.0299999999999998 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.16 -161.67 1.18 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.732 -0.47 . . . . 1.3799999999999999 109.732 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.8599999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.615 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.459 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.544 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 1.3100000000000001 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.615 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.94999999999999996 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.589 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.8300000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.7 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.773 HG21 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 1.1799999999999999 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 2.0299999999999998 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 3.48 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 1.45 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 1.48 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 2.0600000000000001 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.562 ' HG ' HD13 ' A' ' 56' ' ' ILE . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 1.6399999999999999 110.45 -177.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 1.02 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 4.54 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.90000000000000002 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.95 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.773 ' CD2' HG21 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.68999999999999995 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.8900000000000001 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.8400000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.545 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.77 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.49 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.544 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.45 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 1.28 111.949 -174.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 3.2000000000000002 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.683 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 2.29 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 1.2 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 1.0700000000000001 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 2.02 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 2.29 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.498 ' HG1' HD12 ' A' ' 44' ' ' LEU . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 1.3 113.418 -169.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.548 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 1.1799999999999999 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 1.1299999999999999 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 1.1899999999999999 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.98 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 2.3799999999999999 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.613 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 HD13 ' HG ' ' A' ' 25' ' ' CYS . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 1.27 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.613 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.9099999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.727 ' HA ' HD13 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 2.4100000000000001 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.513 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 1.4199999999999999 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.636 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 1.3500000000000001 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.636 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.5299999999999998 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 3.5499999999999998 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.141 175.725 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 112.292 -0.323 . . . . 2.0299999999999998 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.73 -167.41 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 1.3799999999999999 109.513 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.8599999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.621 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 1.3100000000000001 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.621 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.94999999999999996 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.8300000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.7 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.675 HG21 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 1.1799999999999999 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 2.0299999999999998 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 3.48 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 1.45 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 1.48 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 2.0600000000000001 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 1.6399999999999999 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 1.02 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 4.54 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.90000000000000002 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.95 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.675 ' CD2' HG21 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.68999999999999995 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.8900000000000001 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.8400000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.489 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.506 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.77 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.49 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' N ' HD21 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.587 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.45 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.61 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 1.28 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 41' ' ' ARG . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 3.2000000000000002 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 2.29 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 1.2 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.649 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 1.0700000000000001 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' OD1' HG21 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 2.02 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 HG21 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 2.29 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 1.3 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 1.1799999999999999 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 1.1299999999999999 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 1.1899999999999999 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.98 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 2.3799999999999999 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.587 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 1.27 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.61 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.9099999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 2.4100000000000001 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.573 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 1.4199999999999999 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 1.3500000000000001 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.629 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.5299999999999998 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 3.5499999999999998 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 2.3900000000000001 111.26 -174.308 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 110.694 -0.962 . . . . 2.0299999999999998 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.86 166.33 10.48 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.052 -0.722 . . . . 1.3799999999999999 109.052 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.452 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.8599999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 1.3100000000000001 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.608 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.94999999999999996 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.8300000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.7 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.646 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 1.1799999999999999 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 2.0299999999999998 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 3.48 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 1.45 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.637 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.661 HG23 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 1.48 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 2.0600000000000001 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 1.6399999999999999 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 1.02 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 4.54 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.90000000000000002 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.95 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.646 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.68999999999999995 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.64 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.8900000000000001 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.8400000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.661 ' CD1' HG23 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.77 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.623 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.49 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' N ' HD21 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.45 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.444 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 1.28 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 3.2000000000000002 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.623 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 2.29 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 1.2 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 1.0700000000000001 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 2.02 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 2.29 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 1.3 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG13 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 1.1799999999999999 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 1.1299999999999999 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 1.1899999999999999 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.98 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 2.3799999999999999 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.462 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 1.27 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.9099999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.736 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 2.4100000000000001 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 1.4199999999999999 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 1.3500000000000001 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.5299999999999998 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 3.5499999999999998 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 2.3900000000000001 111.786 -173.129 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 112.025 -0.43 . . . . 2.0299999999999998 112.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.25 -177.81 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.201 -0.296 . . . . 1.3799999999999999 110.201 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.8599999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.623 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.435 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.475 ' HB3' ' HE3' ' A' ' 38' ' ' MET . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 1.3100000000000001 110.456 178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.623 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.94999999999999996 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.8300000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.7 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.728 HG23 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 1.1799999999999999 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 2.0299999999999998 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 3.48 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 1.45 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD13 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 1.48 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 2.0600000000000001 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.58 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 1.6399999999999999 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 1.02 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 4.54 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.90000000000000002 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.95 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.728 ' CD2' HG23 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.68999999999999995 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.679 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.8900000000000001 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.8400000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.77 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.0 p-80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.49 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.475 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.45 111.385 179.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 1.28 111.523 -175.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 3.2000000000000002 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 2.29 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 1.2 110.3 177.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 1.0700000000000001 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 2.02 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 2.29 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 1.3 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG22 HD13 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 1.1799999999999999 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 1.1299999999999999 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 1.1899999999999999 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.98 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.469 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 2.3799999999999999 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.536 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 1.27 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.9099999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.474 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 2.4100000000000001 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 1.4199999999999999 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.462 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 1.3500000000000001 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.5299999999999998 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 3.5499999999999998 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 2.3900000000000001 111.993 -176.137 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 112.005 -0.438 . . . . 2.0299999999999998 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.03 -167.0 1.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.548 -0.538 . . . . 1.3799999999999999 109.548 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.8599999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.551 ' HB3' ' HE3' ' A' ' 38' ' ' MET . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 1.3100000000000001 110.594 178.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.679 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.94999999999999996 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.679 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.8300000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.7 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.663 HG23 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 1.1799999999999999 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 2.0299999999999998 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.51 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 3.48 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 1.45 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.51 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 1.48 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 2.0600000000000001 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 1.6399999999999999 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 1.02 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.496 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 4.54 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.90000000000000002 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.95 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.663 ' CD2' HG23 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.68999999999999995 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.8900000000000001 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.8400000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.77 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 13.4 p-80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.49 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 12' ' ' ALA . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.45 111.346 178.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 1.28 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.544 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 3.2000000000000002 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.56 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 2.29 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 1.2 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.744 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 1.0700000000000001 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 2.02 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 2.29 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 1.3 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.616 HG22 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 1.1799999999999999 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 1.1299999999999999 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.525 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 1.1899999999999999 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.666 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 61.2 t60 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.98 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.666 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 2.3799999999999999 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.616 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 1.27 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.751 ' HH ' HH12 ' A' ' 65' ' ' ARG . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.9099999999999999 110.638 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.744 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 2.4100000000000001 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.544 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 1.4199999999999999 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 1.3500000000000001 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.5299999999999998 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.751 HH12 ' HH ' ' A' ' 57' ' ' TYR . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 3.5499999999999998 111.408 -173.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 2.3900000000000001 111.415 -176.82 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.975 -0.45 . . . . 2.0299999999999998 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 -168.92 1.45 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.534 -0.543 . . . . 1.3799999999999999 109.534 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.8599999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB1' ' HE1' ' A' ' 38' ' ' MET . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 1.3100000000000001 110.342 178.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.94999999999999996 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.8300000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.7 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.647 HG23 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 1.1799999999999999 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.569 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 2.0299999999999998 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.68 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 3.48 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 1.45 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.68 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 1.48 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 2.0600000000000001 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.504 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 1.6399999999999999 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 1.02 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 4.54 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.90000000000000002 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.95 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.737 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.68999999999999995 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.8900000000000001 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.8400000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.737 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.504 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.77 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.49 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.468 ' N ' HD22 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.516 ' HE1' ' HB1' ' A' ' 12' ' ' ALA . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.45 111.148 176.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.524 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 1.28 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 3.2000000000000002 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 2.29 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 1.2 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.662 HD12 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 1.0700000000000001 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 2.02 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 2.29 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 1.3 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.544 HG22 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 1.1799999999999999 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 1.1299999999999999 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 1.1899999999999999 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.647 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.98 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 2.3799999999999999 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.534 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.544 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 1.27 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.9099999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.662 ' HA ' HD12 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 2.4100000000000001 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 1.4199999999999999 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.647 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 1.3500000000000001 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.5299999999999998 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 3.5499999999999998 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 2.3900000000000001 111.206 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 N-CA-C 111.971 -0.452 . . . . 2.0299999999999998 111.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.37 169.72 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.777 -0.453 . . . . 1.3799999999999999 109.777 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.8599999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.74 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 1.3100000000000001 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.74 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.94999999999999996 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.8300000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.7 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.632 HG21 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 1.1799999999999999 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 2.0299999999999998 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 3.48 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 1.45 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.421 HD11 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 1.48 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 2.0600000000000001 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 1.6399999999999999 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.436 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.505 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 1.02 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.505 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 4.54 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.90000000000000002 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.44 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.95 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.632 ' CD2' HG21 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.68999999999999995 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HA ' HD11 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.8900000000000001 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.8400000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.575 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.77 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.63 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.49 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 58' ' ' CYS . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.45 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.521 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 1.28 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 3.2000000000000002 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.675 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 2.29 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 1.2 112.04 -176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 1.0700000000000001 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 2.02 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 2.29 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 1.3 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.494 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 1.1799999999999999 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 1.1299999999999999 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 1.1899999999999999 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.51 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.98 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 2.3799999999999999 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.494 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 1.27 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.521 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.9099999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.739 ' SG ' HG21 ' A' ' 60' ' ' VAL . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 2.4100000000000001 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.739 HG21 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 1.4199999999999999 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 1.3500000000000001 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.5299999999999998 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 3.5499999999999998 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 2.3900000000000001 111.886 -175.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.267 -0.333 . . . . 2.0299999999999998 112.267 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.42 -174.36 3.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.465 -0.568 . . . . 1.3799999999999999 109.465 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.8599999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 1.3100000000000001 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.611 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.94999999999999996 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.611 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.8300000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.7 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.736 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 1.1799999999999999 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 2.0299999999999998 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 3.48 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 1.45 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.609 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 1.48 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 2.0600000000000001 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 1.6399999999999999 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 1.02 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.609 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 4.54 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.90000000000000002 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.95 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.736 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.68999999999999995 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.8900000000000001 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.8400000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.77 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.49 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' HB2' HD23 ' A' ' 44' ' ' LEU . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.45 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 1.28 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.49 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 3.2000000000000002 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 2.29 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 1.2 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 1.0700000000000001 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.583 ' HB3' ' HG1' ' A' ' 48' ' ' THR . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 2.02 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 2.29 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.583 ' HG1' ' HB3' ' A' ' 45' ' ' ASP . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 1.3 112.179 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG21 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 1.1799999999999999 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 1.1299999999999999 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 1.1899999999999999 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.98 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 2.3799999999999999 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 1.27 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.9099999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 2.4100000000000001 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.502 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 1.4199999999999999 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.464 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 1.3500000000000001 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.5299999999999998 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 3.5499999999999998 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 2.3900000000000001 111.52 -176.32 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.586 -0.606 . . . . 2.0299999999999998 111.586 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.71 -172.38 2.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.045 -0.354 . . . . 1.3799999999999999 110.045 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.8599999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.583 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 1.3100000000000001 110.99 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.673 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.94999999999999996 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.673 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.8300000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.7 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.634 HG21 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 1.1799999999999999 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 2.0299999999999998 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 3.48 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 1.45 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 1.48 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 2.0600000000000001 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.501 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 1.6399999999999999 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 1.02 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 4.54 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.90000000000000002 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.95 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.634 ' CD2' HG21 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.68999999999999995 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.606 ' HZ1' ' HB2' ' A' ' 32' ' ' LYS . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.8900000000000001 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.8400000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.77 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.516 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.49 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.465 ' N ' HD21 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.45 110.585 175.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.443 ' HB2' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 1.28 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.464 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 3.2000000000000002 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 2.29 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.516 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 1.2 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 1.0700000000000001 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 2.02 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 2.29 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 1.3 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG21 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 1.1799999999999999 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 1.1299999999999999 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 1.1899999999999999 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.527 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.98 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 2.3799999999999999 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.549 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG21 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 1.27 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.9099999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.624 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 2.4100000000000001 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.589 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 1.4199999999999999 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.696 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.527 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 1.3500000000000001 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.696 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.5299999999999998 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 3.5499999999999998 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 2.3900000000000001 112.234 -171.16 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.708 -0.557 . . . . 2.0299999999999998 111.708 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 -178.23 7.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.609 -0.515 . . . . 1.3799999999999999 109.609 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.8599999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 1.3100000000000001 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.592 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.94999999999999996 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.743 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.8300000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.7 111.312 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.58 HG23 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 1.1799999999999999 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 2.0299999999999998 110.158 -177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 3.48 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 1.45 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD12 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 1.48 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 2.0600000000000001 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 1.6399999999999999 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 1.02 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 4.54 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.90000000000000002 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' HB2' HG23 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.95 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.68999999999999995 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.8900000000000001 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.8400000000000001 110.741 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.464 ' CD1' HD12 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.77 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.49 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.464 ' HE1' ' HB3' ' A' ' 12' ' ' ALA . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.45 111.176 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' HB1' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 1.28 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 3.2000000000000002 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 2.29 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 1.2 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.609 HD13 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 1.0700000000000001 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.476 ' OD1' HG21 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 2.02 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.476 HG21 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 2.29 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 1.3 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 1.1799999999999999 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.457 ' HB1' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 1.1299999999999999 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 1.1899999999999999 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.841 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.98 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 2.3799999999999999 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.792 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.474 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 1.27 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.792 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.9099999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD13 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' HG2' ' HB1' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 2.4100000000000001 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 1.4199999999999999 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.481 ' SG ' ' HB1' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.841 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 1.3500000000000001 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.5299999999999998 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 3.5499999999999998 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 2.3900000000000001 111.217 -175.235 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 111.454 -0.659 . . . . 2.0299999999999998 111.454 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.74 -179.63 5.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.671 0.272 . . . . 1.3799999999999999 110.739 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.8599999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.463 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 1.3100000000000001 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.674 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.94999999999999996 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.8300000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.7 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.67 HG21 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 1.1799999999999999 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 2.0299999999999998 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 3.48 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 1.48 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 2.0600000000000001 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.443 ' C ' ' H ' ' A' ' 27' ' ' GLY . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 1.6399999999999999 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.424 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 1.02 111.155 -174.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 4.54 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.90000000000000002 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.95 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.67 ' CD2' HG21 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.68999999999999995 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.8900000000000001 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.8400000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.77 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.656 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.49 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.55 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.439 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.45 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 1.28 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.55 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 3.2000000000000002 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 2.29 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 1.2 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 HD21 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 1.0700000000000001 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 2.02 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 2.29 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 1.3 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 1.1799999999999999 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 1.1299999999999999 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 1.1899999999999999 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.984 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.98 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 2.3799999999999999 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.684 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 1.27 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.684 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.9099999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.478 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.694 ' HB2' ' HZ3' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 2.4100000000000001 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.478 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 1.4199999999999999 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.984 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 1.3500000000000001 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.46 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.5299999999999998 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 3.5499999999999998 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 2.3900000000000001 110.001 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.647 -0.501 . . . . 0.79000000000000004 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.4199999999999999 108.879 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.93999999999999995 110.133 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.77000000000000002 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.3900000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.0900000000000001 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG22 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 0.53000000000000003 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.4099999999999999 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 2.6899999999999999 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 0.85999999999999999 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 0.82999999999999996 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 0.92000000000000004 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 0.96999999999999997 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 3.9199999999999999 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.71999999999999997 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.2 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.53000000000000003 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.3799999999999999 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.3200000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.0900000000000001 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.1499999999999999 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.22 111.236 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 0.91000000000000003 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 2.7799999999999998 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 1.8 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 0.54000000000000004 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 0.46999999999999997 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 49' ' ' VAL . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 1.5800000000000001 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 1.71 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 0.66000000000000003 112.129 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 0.51000000000000001 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 0.38 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 0.68000000000000005 110.988 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.49 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 1.8500000000000001 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 0.58999999999999997 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.1699999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.776 ' HA ' HD11 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 1.96 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 0.84999999999999998 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 0.93999999999999995 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.1099999999999999 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 2.98 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 1.71 109.84 179.567 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.653 -0.499 . . . . 0.79000000000000004 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.4199999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.77000000000000002 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.3900000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.0900000000000001 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 0.53000000000000003 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 1.4099999999999999 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 2.6899999999999999 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 0.85999999999999999 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 0.82999999999999996 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 1.79 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 0.92000000000000004 108.908 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 0.96999999999999997 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 3.9199999999999999 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.71999999999999997 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.2 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.53000000000000003 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.3799999999999999 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.3200000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.0900000000000001 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.1499999999999999 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.531 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.22 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 0.91000000000000003 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 2.7799999999999998 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 1.8 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 0.54000000000000004 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 0.46999999999999997 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 1.5800000000000001 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 1.71 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 0.66000000000000003 112.347 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 0.38 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 0.68000000000000005 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.702 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.49 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 1.8500000000000001 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.487 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 0.58999999999999997 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.1699999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 1.96 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.84999999999999998 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.702 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 0.93999999999999995 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.1099999999999999 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 2.98 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 1.71 110.31 -178.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 N-CA-C 109.799 -0.445 . . . . 0.79000000000000004 109.799 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.4199999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 0.93999999999999995 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.731 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.77000000000000002 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.731 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.3900000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.0900000000000001 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 0.53000000000000003 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 1.4099999999999999 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 2.6899999999999999 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.85999999999999999 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 1.79 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 0.92000000000000004 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 0.96999999999999997 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 3.9199999999999999 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.71999999999999997 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.2 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.53000000000000003 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.3799999999999999 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.3200000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.0900000000000001 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.1499999999999999 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.22 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 0.91000000000000003 111.903 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 2.7799999999999998 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 1.8 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 0.54000000000000004 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 0.46999999999999997 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 1.5800000000000001 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 1.71 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 0.66000000000000003 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 0.51000000000000001 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.38 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 0.68000000000000005 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.899 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.49 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 1.8500000000000001 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 0.58999999999999997 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.1699999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 1.96 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 0.84999999999999998 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.899 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 0.93999999999999995 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.1099999999999999 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 2.98 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 1.71 111.254 -177.708 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.242 -0.281 . . . . 0.79000000000000004 110.242 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.4199999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 0.93999999999999995 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.77000000000000002 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.632 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.3900000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.0900000000000001 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 0.53000000000000003 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 1.4099999999999999 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 2.6899999999999999 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 0.85999999999999999 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 0.82999999999999996 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 1.79 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.92000000000000004 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 0.96999999999999997 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.599 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 3.9199999999999999 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.71999999999999997 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.2 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.53000000000000003 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.3799999999999999 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.3200000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.0900000000000001 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.1499999999999999 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.22 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.91000000000000003 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 2.7799999999999998 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 1.8 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 0.54000000000000004 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 0.46999999999999997 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 1.5800000000000001 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 1.71 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 0.66000000000000003 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 0.51000000000000001 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 0.38 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.68000000000000005 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.54 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.49 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.599 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 1.8500000000000001 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.58999999999999997 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1699999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 1.96 111.275 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 0.93999999999999995 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.52 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.1099999999999999 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 2.98 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 1.71 109.849 177.752 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.882 -0.414 . . . . 0.79000000000000004 109.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.4199999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.93999999999999995 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.763 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.763 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.3900000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.0900000000000001 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.53000000000000003 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 1.4099999999999999 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 2.6899999999999999 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 0.85999999999999999 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 0.82999999999999996 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 1.79 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 0.92000000000000004 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 0.96999999999999997 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 3.9199999999999999 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.442 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.71999999999999997 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.2 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.699 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.53000000000000003 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.3799999999999999 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.3200000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.0900000000000001 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.1499999999999999 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.22 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 0.91000000000000003 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 2.7799999999999998 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 1.8 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 0.54000000000000004 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 0.46999999999999997 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 1.5800000000000001 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 1.71 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 0.66000000000000003 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 0.51000000000000001 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 0.38 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 0.68000000000000005 110.371 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 54' ' ' SER . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.534 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 1.8500000000000001 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 0.58999999999999997 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.1699999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 1.96 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.84999999999999998 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 0.93999999999999995 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.1099999999999999 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 2.98 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 1.71 111.967 -174.508 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.461 -0.57 . . . . 0.79000000000000004 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.4199999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 0.93999999999999995 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.77000000000000002 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.3900000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.0900000000000001 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 0.53000000000000003 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 1.4099999999999999 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 2.6899999999999999 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 0.85999999999999999 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 0.82999999999999996 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 1.79 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.92000000000000004 109.673 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 0.96999999999999997 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 3.9199999999999999 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.71999999999999997 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.2 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.53000000000000003 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.3799999999999999 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.3200000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.0900000000000001 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.653 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.1499999999999999 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.662 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.22 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 0.91000000000000003 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 2.7799999999999998 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 1.8 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 0.54000000000000004 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 0.46999999999999997 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 1.5800000000000001 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 1.71 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 0.66000000000000003 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 0.51000000000000001 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 0.68000000000000005 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.49 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 1.8500000000000001 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 0.58999999999999997 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.1699999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.856 ' HA ' HD11 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 1.96 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 0.84999999999999998 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.74 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 0.93999999999999995 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.1099999999999999 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 2.98 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 1.71 110.372 177.279 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.986 -0.376 . . . . 0.79000000000000004 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.4199999999999999 109.521 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.93999999999999995 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.77000000000000002 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.3900000000000001 110.244 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.0900000000000001 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.636 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.53000000000000003 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 1.4099999999999999 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 2.6899999999999999 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 0.85999999999999999 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 0.82999999999999996 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 1.79 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.92000000000000004 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 0.96999999999999997 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 3.9199999999999999 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.71999999999999997 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.2 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.636 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.53000000000000003 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.3799999999999999 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.3200000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.0900000000000001 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.1499999999999999 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.22 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.91000000000000003 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 2.7799999999999998 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 1.8 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 0.54000000000000004 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 0.46999999999999997 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 1.5800000000000001 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 1.71 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 0.66000000000000003 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 0.38 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 0.68000000000000005 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.49 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 1.8500000000000001 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 0.58999999999999997 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.1699999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 1.96 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.644 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 0.84999999999999998 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.707 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 0.93999999999999995 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.707 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.1099999999999999 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 2.98 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 1.71 110.366 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.692 -0.484 . . . . 0.79000000000000004 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.4199999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.93999999999999995 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.77000000000000002 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.3900000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.0900000000000001 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 0.53000000000000003 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.4099999999999999 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 2.6899999999999999 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 0.85999999999999999 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 0.82999999999999996 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 1.79 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 0.92000000000000004 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 0.96999999999999997 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 3.9199999999999999 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.71999999999999997 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.2 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.53000000000000003 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.3799999999999999 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.3200000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' O ' HD11 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.0900000000000001 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 15.8 p80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.1499999999999999 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.22 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 0.91000000000000003 111.01 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 2.7799999999999998 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 1.8 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 0.54000000000000004 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 0.46999999999999997 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 1.5800000000000001 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 1.71 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 0.66000000000000003 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 0.51000000000000001 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 0.38 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.68000000000000005 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.49 109.531 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 1.8500000000000001 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 0.58999999999999997 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.1699999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.719 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 1.96 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.84999999999999998 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.93999999999999995 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.1099999999999999 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 2.98 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 1.71 111.039 -178.965 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.732 -0.47 . . . . 0.79000000000000004 109.732 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.4199999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.93999999999999995 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.77000000000000002 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.667 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.3900000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.0900000000000001 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG22 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 0.53000000000000003 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 1.4099999999999999 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 2.6899999999999999 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 0.85999999999999999 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 0.82999999999999996 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 1.79 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 0.92000000000000004 110.45 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 0.96999999999999997 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 3.9199999999999999 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.71999999999999997 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.2 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.781 ' CD2' HG22 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.53000000000000003 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.3799999999999999 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.3200000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.0900000000000001 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.673 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' N ' HD23 ' A' ' 44' ' ' LEU . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.22 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.91000000000000003 111.949 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 2.7799999999999998 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.7 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 1.8 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.54000000000000004 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 1.5800000000000001 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 1.71 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 0.66000000000000003 113.418 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 0.51000000000000001 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 0.38 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 0.68000000000000005 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.49 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 1.8500000000000001 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 0.58999999999999997 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.1699999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.756 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 1.96 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.521 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.84999999999999998 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 0.93999999999999995 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.674 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.1099999999999999 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 2.98 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 1.71 110.141 175.725 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.513 -0.551 . . . . 0.79000000000000004 109.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.4199999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 0.93999999999999995 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.77000000000000002 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.0900000000000001 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 0.53000000000000003 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 1.4099999999999999 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 2.6899999999999999 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 0.85999999999999999 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 0.82999999999999996 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 1.79 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 0.92000000000000004 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 0.96999999999999997 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 3.9199999999999999 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.71999999999999997 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.2 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.53000000000000003 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.3799999999999999 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.3200000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.0900000000000001 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.1499999999999999 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.22 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.91000000000000003 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 2.7799999999999998 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 1.8 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 0.54000000000000004 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 1.5800000000000001 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 1.71 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 0.66000000000000003 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 0.51000000000000001 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.38 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 0.68000000000000005 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.49 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 1.8500000000000001 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.615 ' HE2' ' HB3' ' A' ' 55' ' ' GLU . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.1699999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 1.96 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.582 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 0.84999999999999998 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.646 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 0.93999999999999995 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.1099999999999999 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 2.98 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 1.71 111.26 -174.308 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.052 -0.722 . . . . 0.79000000000000004 109.052 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.4199999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.93999999999999995 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.77000000000000002 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.3900000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.0900000000000001 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.53000000000000003 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 1.4099999999999999 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 2.6899999999999999 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 0.85999999999999999 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 0.82999999999999996 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 1.79 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.92000000000000004 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 0.96999999999999997 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 3.9199999999999999 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.71999999999999997 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.2 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.53000000000000003 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.3799999999999999 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.3200000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.1499999999999999 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.22 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.91000000000000003 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 2.7799999999999998 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 1.8 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.54000000000000004 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.46999999999999997 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 1.5800000000000001 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 1.71 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 0.66000000000000003 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 0.51000000000000001 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.38 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 0.68000000000000005 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.49 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 1.8500000000000001 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 0.58999999999999997 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.1699999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.768 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 1.96 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.84999999999999998 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 0.93999999999999995 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.1099999999999999 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 2.98 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 1.71 111.786 -173.129 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 N-CA-C 110.201 -0.296 . . . . 0.79000000000000004 110.201 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.4199999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 0.93999999999999995 110.456 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.77000000000000002 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.3900000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.0900000000000001 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.53000000000000003 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 1.4099999999999999 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 2.6899999999999999 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 0.85999999999999999 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 0.82999999999999996 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.623 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 0.92000000000000004 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 0.96999999999999997 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 3.9199999999999999 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.71999999999999997 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.2 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.53000000000000003 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.3799999999999999 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.3200000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.623 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.0900000000000001 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.5 p80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.1499999999999999 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.22 111.385 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 0.91000000000000003 111.523 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 2.7799999999999998 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 0.54000000000000004 110.3 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 0.46999999999999997 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 1.5800000000000001 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 1.71 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 0.66000000000000003 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 0.51000000000000001 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 0.38 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 0.68000000000000005 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.49 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 1.8500000000000001 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 0.58999999999999997 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 1.96 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 0.84999999999999998 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.93999999999999995 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.1099999999999999 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 2.98 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 1.71 111.993 -176.137 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.548 -0.538 . . . . 0.79000000000000004 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.4199999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 0.93999999999999995 110.594 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.77000000000000002 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.692 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.3900000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.0900000000000001 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 0.53000000000000003 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 1.4099999999999999 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 2.6899999999999999 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 0.85999999999999999 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 0.82999999999999996 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 1.79 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 0.92000000000000004 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 0.96999999999999997 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 3.9199999999999999 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.71999999999999997 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.2 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.53000000000000003 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.3799999999999999 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.3200000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.0900000000000001 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 29.8 p80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.1499999999999999 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.346 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.91000000000000003 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 2.7799999999999998 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 1.8 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 0.54000000000000004 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 1.71 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 0.66000000000000003 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.51000000000000001 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.38 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 0.68000000000000005 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.583 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 49.0 t-80 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.49 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' ND1' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 1.8500000000000001 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.615 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 0.58999999999999997 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.1699999999999999 110.638 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.771 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 1.96 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 0.84999999999999998 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.93999999999999995 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.1099999999999999 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 2.98 111.408 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 1.71 111.415 -176.82 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.534 -0.543 . . . . 0.79000000000000004 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.4199999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 0.93999999999999995 110.342 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.77000000000000002 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.3900000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.0900000000000001 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 0.53000000000000003 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 1.4099999999999999 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.689 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 2.6899999999999999 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 0.85999999999999999 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.82999999999999996 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 1.79 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 0.92000000000000004 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 0.96999999999999997 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 3.9199999999999999 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.71999999999999997 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.2 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.53000000000000003 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.3799999999999999 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.3200000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.0900000000000001 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.648 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.1499999999999999 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' N ' HD23 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.22 111.148 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.91000000000000003 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 2.7799999999999998 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 1.8 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 0.54000000000000004 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 0.46999999999999997 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 1.5800000000000001 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 1.71 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 0.66000000000000003 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG23 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 0.51000000000000001 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.38 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 0.68000000000000005 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.49 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 1.8500000000000001 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 0.58999999999999997 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.1699999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.699 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 1.96 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 0.84999999999999998 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.661 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 0.93999999999999995 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.1099999999999999 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 2.98 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 1.71 111.206 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.777 -0.453 . . . . 0.79000000000000004 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.4199999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.754 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 0.93999999999999995 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.754 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.77000000000000002 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 14' ' ' GLU . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.3900000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.0900000000000001 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 0.53000000000000003 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 1.4099999999999999 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 2.6899999999999999 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 0.85999999999999999 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 0.82999999999999996 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 1.79 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 0.92000000000000004 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 0.96999999999999997 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 3.9199999999999999 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.71999999999999997 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.2 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.53000000000000003 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.3799999999999999 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.3200000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.0900000000000001 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.1499999999999999 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 44' ' ' LEU . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.22 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 0.91000000000000003 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 2.7799999999999998 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.679 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 1.8 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 0.54000000000000004 112.04 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.46999999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 1.5800000000000001 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 1.71 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 0.66000000000000003 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 0.51000000000000001 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 0.38 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 0.68000000000000005 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.49 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 1.8500000000000001 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 0.58999999999999997 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.1699999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 1.96 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.744 HG22 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 0.84999999999999998 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.1099999999999999 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 2.98 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 1.71 111.886 -175.877 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.465 -0.568 . . . . 0.79000000000000004 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.4199999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.93999999999999995 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.77000000000000002 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.3900000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 0.53000000000000003 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 1.4099999999999999 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 2.6899999999999999 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.85999999999999999 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 0.82999999999999996 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 1.79 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.456 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 0.92000000000000004 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 0.96999999999999997 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.637 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 3.9199999999999999 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.71999999999999997 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.2 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.53000000000000003 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.3799999999999999 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.3200000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.0900000000000001 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.1499999999999999 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.22 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.91000000000000003 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 2.7799999999999998 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 1.8 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 0.54000000000000004 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 0.46999999999999997 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 1.5800000000000001 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 1.71 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 0.66000000000000003 112.179 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 0.51000000000000001 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 0.38 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 0.68000000000000005 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.49 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 1.8500000000000001 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.58999999999999997 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.1699999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.772 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 1.96 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.506 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 0.84999999999999998 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.93999999999999995 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.1099999999999999 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.98 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 1.71 111.52 -176.32 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.045 -0.354 . . . . 0.79000000000000004 110.045 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.4199999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.93999999999999995 110.99 176.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.675 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.77000000000000002 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.675 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.3900000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.0900000000000001 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.53000000000000003 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 1.4099999999999999 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 2.6899999999999999 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 0.85999999999999999 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 0.82999999999999996 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 1.79 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 0.92000000000000004 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 0.96999999999999997 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 3.9199999999999999 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.71999999999999997 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.2 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.641 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.53000000000000003 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.3799999999999999 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.3200000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.0900000000000001 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.1499999999999999 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.22 110.585 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.91000000000000003 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.498 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 2.7799999999999998 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 1.8 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 0.54000000000000004 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 0.46999999999999997 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 1.5800000000000001 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 1.71 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 0.66000000000000003 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG23 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 0.51000000000000001 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 0.38 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.68000000000000005 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.55 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.49 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 1.8500000000000001 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.58999999999999997 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.1699999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 1.96 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.596 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 0.84999999999999998 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.93999999999999995 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.68 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.1099999999999999 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 2.98 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.71 112.234 -171.16 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.609 -0.515 . . . . 0.79000000000000004 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.4199999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.93999999999999995 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.77000000000000002 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.769 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.3900000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 18' ' ' TYR . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.0900000000000001 111.312 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.53000000000000003 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HE2' ' HG1' ' A' ' 16' ' ' THR . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 1.4099999999999999 110.158 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 2.6899999999999999 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.85999999999999999 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 0.82999999999999996 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 1.79 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 0.92000000000000004 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 0.96999999999999997 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 3.9199999999999999 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.71999999999999997 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.2 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.53000000000000003 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.3799999999999999 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 31' ' ' HIS . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.3200000000000001 110.741 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.0900000000000001 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.1499999999999999 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.22 111.176 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.91000000000000003 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 2.7799999999999998 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 1.8 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 0.54000000000000004 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 0.46999999999999997 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 1.5800000000000001 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 1.71 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 0.66000000000000003 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 0.51000000000000001 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 0.38 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 0.68000000000000005 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.838 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.49 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 1.8500000000000001 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.58999999999999997 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.81 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.1699999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.656 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 1.96 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 0.84999999999999998 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.838 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.93999999999999995 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.1099999999999999 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 1.71 111.217 -175.235 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.671 0.272 . . . . 0.79000000000000004 110.739 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.4199999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 0.93999999999999995 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.77000000000000002 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.3900000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.0900000000000001 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.53000000000000003 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 1.4099999999999999 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 2.6899999999999999 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 0.85999999999999999 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 0.82999999999999996 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 1.79 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 0.92000000000000004 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 0.96999999999999997 111.155 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 3.9199999999999999 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.2 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.53000000000000003 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.3799999999999999 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.3200000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.0900000000000001 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.671 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.1499999999999999 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.449 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.22 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.91000000000000003 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 2.7799999999999998 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 1.8 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 0.54000000000000004 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 0.46999999999999997 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 1.5800000000000001 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 1.71 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 0.66000000000000003 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 0.51000000000000001 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 0.38 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.68000000000000005 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 1.006 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.49 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 0.58999999999999997 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.1699999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 1.96 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.485 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 0.84999999999999998 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 1.006 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 0.93999999999999995 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.1099999999999999 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 2.98 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 1.71 110.001 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 111.88 -0.488 . . . . 1.6299999999999999 111.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.09 -171.11 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.647 -0.501 . . . . 0.79000000000000004 109.647 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.4199999999999999 108.879 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.93999999999999995 110.133 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.77000000000000002 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.3900000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.0900000000000001 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG22 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 0.53000000000000003 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.4099999999999999 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 2.6899999999999999 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 0.85999999999999999 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 0.82999999999999996 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 0.92000000000000004 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 0.96999999999999997 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 3.9199999999999999 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.71999999999999997 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.2 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.53000000000000003 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.3799999999999999 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.3200000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.0900000000000001 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.1499999999999999 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.22 111.236 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 0.91000000000000003 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 2.7799999999999998 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 1.8 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 0.54000000000000004 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 0.46999999999999997 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 49' ' ' VAL . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 1.5800000000000001 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 1.71 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 0.66000000000000003 112.129 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 0.51000000000000001 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 0.38 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 0.68000000000000005 110.988 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.49 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 1.8500000000000001 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 0.58999999999999997 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.1699999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.776 ' HA ' HD11 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 1.96 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 0.84999999999999998 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 0.93999999999999995 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.1099999999999999 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 2.98 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 1.71 109.84 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 111.974 -0.451 . . . . 1.6299999999999999 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.14 178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.653 -0.499 . . . . 0.79000000000000004 109.653 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.4199999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.77000000000000002 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.3900000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.0900000000000001 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 0.53000000000000003 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 1.4099999999999999 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 2.6899999999999999 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 0.85999999999999999 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 0.82999999999999996 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 1.79 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 0.92000000000000004 108.908 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 0.96999999999999997 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 3.9199999999999999 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.71999999999999997 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.2 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.53000000000000003 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.3799999999999999 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.3200000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.0900000000000001 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.1499999999999999 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.22 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 0.91000000000000003 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 2.7799999999999998 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 1.8 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 0.54000000000000004 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 0.46999999999999997 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 1.5800000000000001 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 1.71 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 0.66000000000000003 112.347 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 0.38 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 0.68000000000000005 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.702 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.49 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 1.8500000000000001 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.487 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 0.58999999999999997 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.1699999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 1.96 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.84999999999999998 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.702 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 0.93999999999999995 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.1099999999999999 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 2.98 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 1.71 110.31 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.069 -0.412 . . . . 1.6299999999999999 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.22 -176.2 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.799 -0.445 . . . . 0.79000000000000004 109.799 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.4199999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 0.93999999999999995 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.731 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.77000000000000002 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.731 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.3900000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.0900000000000001 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 0.53000000000000003 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 1.4099999999999999 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 2.6899999999999999 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.85999999999999999 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 1.79 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 0.92000000000000004 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 0.96999999999999997 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 3.9199999999999999 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.71999999999999997 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.2 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.53000000000000003 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.3799999999999999 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.3200000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.0900000000000001 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.1499999999999999 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.22 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 0.91000000000000003 111.903 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 2.7799999999999998 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 1.8 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 0.54000000000000004 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 0.46999999999999997 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 1.5800000000000001 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 1.71 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 0.66000000000000003 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 0.51000000000000001 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.38 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 0.68000000000000005 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.899 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.49 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 1.8500000000000001 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 0.58999999999999997 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.1699999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 1.96 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 0.84999999999999998 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.899 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 0.93999999999999995 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.1099999999999999 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 2.98 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 1.71 111.254 -177.708 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.519 -0.632 . . . . 1.6299999999999999 111.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.93 -170.65 1.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.242 -0.281 . . . . 0.79000000000000004 110.242 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.4199999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 0.93999999999999995 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.77000000000000002 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.632 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.3900000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.0900000000000001 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 0.53000000000000003 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 1.4099999999999999 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 2.6899999999999999 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 0.85999999999999999 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 0.82999999999999996 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 1.79 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.92000000000000004 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 0.96999999999999997 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.599 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 3.9199999999999999 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.71999999999999997 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.2 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.53000000000000003 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.3799999999999999 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.3200000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.0900000000000001 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.1499999999999999 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.22 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.91000000000000003 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 2.7799999999999998 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 1.8 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 0.54000000000000004 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 0.46999999999999997 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 1.5800000000000001 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 1.71 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 0.66000000000000003 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 0.51000000000000001 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 0.38 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.68000000000000005 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.54 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.49 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.599 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 1.8500000000000001 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.58999999999999997 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1699999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 1.96 111.275 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 0.93999999999999995 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.52 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.1099999999999999 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 2.98 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 1.71 109.849 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 111.326 -0.709 . . . . 1.6299999999999999 111.326 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.32 177.68 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.882 -0.414 . . . . 0.79000000000000004 109.882 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.4199999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.93999999999999995 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.763 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.763 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.3900000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.0900000000000001 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.53000000000000003 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 1.4099999999999999 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 2.6899999999999999 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 0.85999999999999999 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 0.82999999999999996 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 1.79 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 0.92000000000000004 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 0.96999999999999997 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 3.9199999999999999 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.442 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.71999999999999997 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.2 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.699 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.53000000000000003 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.3799999999999999 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.3200000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.0900000000000001 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.1499999999999999 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.22 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 0.91000000000000003 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 2.7799999999999998 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 1.8 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 0.54000000000000004 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 0.46999999999999997 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 1.5800000000000001 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 1.71 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 0.66000000000000003 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 0.51000000000000001 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 0.38 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 0.68000000000000005 110.371 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 54' ' ' SER . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.534 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 1.8500000000000001 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 0.58999999999999997 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.1699999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 1.96 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.84999999999999998 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 0.93999999999999995 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.1099999999999999 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 2.98 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 1.71 111.967 -174.508 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.016 -0.434 . . . . 1.6299999999999999 112.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.47 -168.86 1.95 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.461 -0.57 . . . . 0.79000000000000004 109.461 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.4199999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 0.93999999999999995 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.77000000000000002 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.3900000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.0900000000000001 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 0.53000000000000003 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 1.4099999999999999 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 2.6899999999999999 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 0.85999999999999999 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 0.82999999999999996 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 1.79 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.92000000000000004 109.673 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 0.96999999999999997 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 3.9199999999999999 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.71999999999999997 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.2 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.53000000000000003 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.3799999999999999 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.3200000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.0900000000000001 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.653 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.1499999999999999 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.662 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.22 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 0.91000000000000003 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 2.7799999999999998 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 1.8 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 0.54000000000000004 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 0.46999999999999997 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 1.5800000000000001 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 1.71 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 0.66000000000000003 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 0.51000000000000001 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 0.68000000000000005 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.49 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 1.8500000000000001 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 0.58999999999999997 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.1699999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.856 ' HA ' HD11 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 1.96 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 0.84999999999999998 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.74 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 0.93999999999999995 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.1099999999999999 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 2.98 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 1.71 110.372 177.279 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.28 -0.328 . . . . 1.6299999999999999 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.43 -172.78 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.986 -0.376 . . . . 0.79000000000000004 109.986 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.4199999999999999 109.521 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.93999999999999995 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.77000000000000002 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.3900000000000001 110.244 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.0900000000000001 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.636 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.53000000000000003 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 1.4099999999999999 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 2.6899999999999999 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 0.85999999999999999 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 0.82999999999999996 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 1.79 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.92000000000000004 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 0.96999999999999997 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 3.9199999999999999 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.71999999999999997 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.2 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.53000000000000003 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.3799999999999999 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.3200000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.0900000000000001 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.1499999999999999 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.22 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.91000000000000003 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 2.7799999999999998 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 1.8 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 0.54000000000000004 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 0.46999999999999997 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 1.5800000000000001 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 1.71 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 0.66000000000000003 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 0.38 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 0.68000000000000005 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.49 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 1.8500000000000001 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 0.58999999999999997 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.1699999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 1.96 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.644 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 0.84999999999999998 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.707 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 0.93999999999999995 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.707 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.1099999999999999 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 2.98 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 1.71 110.366 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.999 -0.44 . . . . 1.6299999999999999 111.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.64 179.73 6.15 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.692 -0.484 . . . . 0.79000000000000004 109.692 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.4199999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.93999999999999995 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.77000000000000002 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.3900000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.0900000000000001 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 0.53000000000000003 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.4099999999999999 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 2.6899999999999999 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 0.85999999999999999 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 0.82999999999999996 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 1.79 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 0.92000000000000004 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 0.96999999999999997 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 3.9199999999999999 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.71999999999999997 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.2 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.53000000000000003 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.3799999999999999 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.3200000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' O ' HD11 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.0900000000000001 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 15.8 p80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.1499999999999999 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.22 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 0.91000000000000003 111.01 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 2.7799999999999998 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 1.8 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 0.54000000000000004 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 0.46999999999999997 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 1.5800000000000001 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 1.71 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 0.66000000000000003 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 0.51000000000000001 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 0.38 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.68000000000000005 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.49 109.531 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 1.8500000000000001 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 0.58999999999999997 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.1699999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.719 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 1.96 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.84999999999999998 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.93999999999999995 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.1099999999999999 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 2.98 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 1.71 111.039 -178.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.581 -0.608 . . . . 1.6299999999999999 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.16 -161.67 1.18 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.732 -0.47 . . . . 0.79000000000000004 109.732 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.4199999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.93999999999999995 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.77000000000000002 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.3900000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.0900000000000001 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG22 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 0.53000000000000003 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 1.4099999999999999 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 2.6899999999999999 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 0.85999999999999999 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 0.82999999999999996 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 1.79 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 0.92000000000000004 110.45 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 0.96999999999999997 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 3.9199999999999999 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.71999999999999997 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.2 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.781 ' CD2' HG22 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.53000000000000003 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.3799999999999999 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.3200000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.0900000000000001 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.673 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' N ' HD23 ' A' ' 44' ' ' LEU . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.22 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.91000000000000003 111.949 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 2.7799999999999998 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.7 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 1.8 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.54000000000000004 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 1.5800000000000001 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 1.71 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 0.66000000000000003 113.418 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 0.51000000000000001 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 0.38 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 0.68000000000000005 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.49 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 1.8500000000000001 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 0.58999999999999997 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.1699999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.756 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 1.96 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.521 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.84999999999999998 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 0.93999999999999995 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.674 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.1099999999999999 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 2.98 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 1.71 110.141 175.725 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 112.292 -0.323 . . . . 1.6299999999999999 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.73 -167.41 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.79000000000000004 109.513 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.4199999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 0.93999999999999995 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.77000000000000002 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.0900000000000001 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 0.53000000000000003 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 1.4099999999999999 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 2.6899999999999999 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 0.85999999999999999 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 0.82999999999999996 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 1.79 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 0.92000000000000004 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 0.96999999999999997 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 3.9199999999999999 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.71999999999999997 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.2 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.53000000000000003 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.3799999999999999 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.3200000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.0900000000000001 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.1499999999999999 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.22 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.91000000000000003 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 2.7799999999999998 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 1.8 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 0.54000000000000004 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 1.5800000000000001 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 1.71 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 0.66000000000000003 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 0.51000000000000001 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.38 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 0.68000000000000005 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.49 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 1.8500000000000001 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.615 ' HE2' ' HB3' ' A' ' 55' ' ' GLU . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.1699999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 1.96 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.582 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 0.84999999999999998 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.646 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 0.93999999999999995 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.1099999999999999 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 2.98 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 1.71 111.26 -174.308 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 110.694 -0.962 . . . . 1.6299999999999999 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.86 166.33 10.48 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.052 -0.722 . . . . 0.79000000000000004 109.052 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.4199999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.93999999999999995 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.77000000000000002 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.3900000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.0900000000000001 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.53000000000000003 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 1.4099999999999999 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 2.6899999999999999 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 0.85999999999999999 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 0.82999999999999996 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 1.79 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.92000000000000004 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 0.96999999999999997 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 3.9199999999999999 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.71999999999999997 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.2 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.53000000000000003 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.3799999999999999 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.3200000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.1499999999999999 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.22 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.91000000000000003 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 2.7799999999999998 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 1.8 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.54000000000000004 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.46999999999999997 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 1.5800000000000001 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 1.71 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 0.66000000000000003 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 0.51000000000000001 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.38 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 0.68000000000000005 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.49 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 1.8500000000000001 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 0.58999999999999997 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.1699999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.768 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 1.96 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.84999999999999998 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 0.93999999999999995 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.1099999999999999 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 2.98 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 1.71 111.786 -173.129 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 112.025 -0.43 . . . . 1.6299999999999999 112.025 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.25 -177.81 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.201 -0.296 . . . . 0.79000000000000004 110.201 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.4199999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 0.93999999999999995 110.456 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.77000000000000002 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.3900000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.0900000000000001 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.53000000000000003 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 1.4099999999999999 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 2.6899999999999999 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 0.85999999999999999 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 0.82999999999999996 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.623 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 0.92000000000000004 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 0.96999999999999997 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 3.9199999999999999 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.71999999999999997 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.2 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.53000000000000003 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.3799999999999999 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.3200000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.623 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.0900000000000001 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.5 p80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.1499999999999999 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.22 111.385 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 0.91000000000000003 111.523 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 2.7799999999999998 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 0.54000000000000004 110.3 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 0.46999999999999997 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 1.5800000000000001 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 1.71 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 0.66000000000000003 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 0.51000000000000001 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 0.38 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 0.68000000000000005 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.49 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 1.8500000000000001 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 0.58999999999999997 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 1.96 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 0.84999999999999998 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.93999999999999995 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.1099999999999999 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 2.98 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 1.71 111.993 -176.137 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 112.005 -0.438 . . . . 1.6299999999999999 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.03 -167.0 1.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.548 -0.538 . . . . 0.79000000000000004 109.548 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.4199999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 0.93999999999999995 110.594 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.77000000000000002 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.692 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.3900000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.0900000000000001 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 0.53000000000000003 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 1.4099999999999999 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 2.6899999999999999 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 0.85999999999999999 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 0.82999999999999996 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 1.79 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 0.92000000000000004 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 0.96999999999999997 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 3.9199999999999999 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.71999999999999997 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.2 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.53000000000000003 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.3799999999999999 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.3200000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.0900000000000001 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 29.8 p80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.1499999999999999 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.346 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.91000000000000003 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 2.7799999999999998 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 1.8 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 0.54000000000000004 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 1.71 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 0.66000000000000003 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.51000000000000001 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.38 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 0.68000000000000005 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.583 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 49.0 t-80 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.49 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HG2' ' ND1' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 1.8500000000000001 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.615 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 0.58999999999999997 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.1699999999999999 110.638 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.771 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 1.96 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 0.84999999999999998 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.93999999999999995 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.1099999999999999 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 2.98 111.408 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 1.71 111.415 -176.82 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.975 -0.45 . . . . 1.6299999999999999 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 -168.92 1.45 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.534 -0.543 . . . . 0.79000000000000004 109.534 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.4199999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 0.93999999999999995 110.342 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.77000000000000002 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.3900000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.0900000000000001 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 0.53000000000000003 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 1.4099999999999999 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.689 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 2.6899999999999999 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 0.85999999999999999 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.82999999999999996 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 1.79 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 0.92000000000000004 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 0.96999999999999997 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 3.9199999999999999 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.71999999999999997 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.2 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.53000000000000003 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.3799999999999999 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.3200000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.0900000000000001 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.648 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.1499999999999999 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' N ' HD23 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.22 111.148 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.91000000000000003 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 2.7799999999999998 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 1.8 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 0.54000000000000004 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 0.46999999999999997 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 1.5800000000000001 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 1.71 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 0.66000000000000003 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG23 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 0.51000000000000001 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.38 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 0.68000000000000005 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.49 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 1.8500000000000001 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 0.58999999999999997 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.1699999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.699 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 1.96 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 0.84999999999999998 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.661 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 0.93999999999999995 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.1099999999999999 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 2.98 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 1.71 111.206 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 N-CA-C 111.971 -0.452 . . . . 1.6299999999999999 111.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.37 169.72 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.777 -0.453 . . . . 0.79000000000000004 109.777 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.4199999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.754 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 0.93999999999999995 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.754 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.77000000000000002 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 14' ' ' GLU . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.3900000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.0900000000000001 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 0.53000000000000003 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 1.4099999999999999 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 2.6899999999999999 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 0.85999999999999999 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 0.82999999999999996 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 1.79 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 0.92000000000000004 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 0.96999999999999997 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 3.9199999999999999 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.71999999999999997 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.2 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.53000000000000003 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.3799999999999999 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.3200000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.0900000000000001 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.1499999999999999 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 44' ' ' LEU . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.22 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 0.91000000000000003 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 2.7799999999999998 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.679 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 1.8 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 0.54000000000000004 112.04 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.46999999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 1.5800000000000001 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 1.71 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 0.66000000000000003 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 0.51000000000000001 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 0.38 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 0.68000000000000005 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.49 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 1.8500000000000001 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 0.58999999999999997 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.1699999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 1.96 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.744 HG22 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 0.84999999999999998 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.1099999999999999 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 2.98 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 1.71 111.886 -175.877 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.267 -0.333 . . . . 1.6299999999999999 112.267 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.42 -174.36 3.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.465 -0.568 . . . . 0.79000000000000004 109.465 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.4199999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.93999999999999995 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.77000000000000002 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.3900000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 0.53000000000000003 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 1.4099999999999999 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 2.6899999999999999 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.85999999999999999 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 0.82999999999999996 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 1.79 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.456 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 0.92000000000000004 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 0.96999999999999997 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.637 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 3.9199999999999999 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.71999999999999997 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.2 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.53000000000000003 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.3799999999999999 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.3200000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.0900000000000001 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.1499999999999999 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.22 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.91000000000000003 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 2.7799999999999998 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 1.8 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 0.54000000000000004 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 0.46999999999999997 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 1.5800000000000001 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 1.71 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 0.66000000000000003 112.179 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 0.51000000000000001 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 0.38 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 0.68000000000000005 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.49 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 1.8500000000000001 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.58999999999999997 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.1699999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.772 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 1.96 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.506 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 0.84999999999999998 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.93999999999999995 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.1099999999999999 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.98 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 1.71 111.52 -176.32 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.586 -0.606 . . . . 1.6299999999999999 111.586 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.71 -172.38 2.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.045 -0.354 . . . . 0.79000000000000004 110.045 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.4199999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.93999999999999995 110.99 176.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.675 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.77000000000000002 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.675 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.3900000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.0900000000000001 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.53000000000000003 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 1.4099999999999999 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 2.6899999999999999 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 0.85999999999999999 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 0.82999999999999996 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 1.79 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 0.92000000000000004 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 0.96999999999999997 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 3.9199999999999999 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.71999999999999997 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.2 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.641 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.53000000000000003 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.3799999999999999 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.3200000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.0900000000000001 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.1499999999999999 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.22 110.585 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.91000000000000003 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.498 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 2.7799999999999998 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 1.8 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 0.54000000000000004 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 0.46999999999999997 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 1.5800000000000001 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 1.71 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 0.66000000000000003 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG23 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 0.51000000000000001 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 0.38 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.68000000000000005 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.55 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.49 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 1.8500000000000001 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.58999999999999997 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.1699999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 1.96 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.596 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 0.84999999999999998 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.93999999999999995 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.68 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.1099999999999999 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 2.98 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.71 112.234 -171.16 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.708 -0.557 . . . . 1.6299999999999999 111.708 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 -178.23 7.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.609 -0.515 . . . . 0.79000000000000004 109.609 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.4199999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.93999999999999995 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.77000000000000002 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.769 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.3900000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 18' ' ' TYR . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.0900000000000001 111.312 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.53000000000000003 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HE2' ' HG1' ' A' ' 16' ' ' THR . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 1.4099999999999999 110.158 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 2.6899999999999999 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.85999999999999999 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 0.82999999999999996 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 1.79 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 0.92000000000000004 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 0.96999999999999997 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 3.9199999999999999 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.71999999999999997 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.2 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.53000000000000003 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.3799999999999999 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 31' ' ' HIS . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.3200000000000001 110.741 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.0900000000000001 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.1499999999999999 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.22 111.176 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.91000000000000003 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 2.7799999999999998 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 1.8 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 0.54000000000000004 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 0.46999999999999997 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 1.5800000000000001 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 1.71 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 0.66000000000000003 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 0.51000000000000001 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 0.38 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 0.68000000000000005 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.838 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.49 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 1.8500000000000001 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.58999999999999997 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.81 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.1699999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.656 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 1.96 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 0.84999999999999998 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.838 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.93999999999999995 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.1099999999999999 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 1.71 111.217 -175.235 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 111.454 -0.659 . . . . 1.6299999999999999 111.454 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.74 -179.63 5.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.671 0.272 . . . . 0.79000000000000004 110.739 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.4199999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 0.93999999999999995 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.77000000000000002 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.3900000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.0900000000000001 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.53000000000000003 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 1.4099999999999999 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 2.6899999999999999 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 0.85999999999999999 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 0.82999999999999996 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 1.79 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 0.92000000000000004 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 0.96999999999999997 111.155 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 3.9199999999999999 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.2 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.53000000000000003 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.3799999999999999 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.3200000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.0900000000000001 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.671 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.1499999999999999 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.449 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.22 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.91000000000000003 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 2.7799999999999998 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 1.8 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 0.54000000000000004 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 0.46999999999999997 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 1.5800000000000001 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 1.71 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 0.66000000000000003 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 0.51000000000000001 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 0.38 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.68000000000000005 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 1.006 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.49 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 0.58999999999999997 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.1699999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 1.96 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.485 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 0.84999999999999998 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 1.006 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 0.93999999999999995 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.1099999999999999 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 2.98 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 1.71 110.001 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.647 -0.501 . . . . 0.79000000000000004 109.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.4199999999999999 108.879 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.93999999999999995 110.133 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.77000000000000002 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.3900000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.0900000000000001 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG22 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 0.53000000000000003 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.4099999999999999 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 2.6899999999999999 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 0.85999999999999999 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 0.82999999999999996 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 0.92000000000000004 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 0.96999999999999997 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 3.9199999999999999 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.71999999999999997 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.2 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.53000000000000003 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.3799999999999999 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.3200000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.0900000000000001 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.1499999999999999 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.22 111.236 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 0.91000000000000003 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 2.7799999999999998 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 1.8 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 0.54000000000000004 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 0.46999999999999997 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 49' ' ' VAL . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 1.5800000000000001 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 1.71 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 0.66000000000000003 112.129 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.514 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 0.51000000000000001 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 0.38 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 0.68000000000000005 110.988 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.49 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 1.8500000000000001 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 0.58999999999999997 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.1699999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.776 ' HA ' HD11 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 1.96 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 0.84999999999999998 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 0.93999999999999995 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.1099999999999999 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 2.98 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 1.71 109.84 179.567 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.653 -0.499 . . . . 0.79000000000000004 109.653 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.4199999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.77000000000000002 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.3900000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.0900000000000001 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 0.53000000000000003 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 1.4099999999999999 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 2.6899999999999999 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 0.85999999999999999 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 0.82999999999999996 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 1.79 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 0.92000000000000004 108.908 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 0.96999999999999997 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 3.9199999999999999 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.71999999999999997 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.2 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.53000000000000003 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.3799999999999999 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.3200000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.0900000000000001 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.1499999999999999 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.531 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.22 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 0.91000000000000003 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 2.7799999999999998 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 1.8 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 0.54000000000000004 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 0.46999999999999997 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 1.5800000000000001 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 1.71 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 0.66000000000000003 112.347 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 0.38 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 0.68000000000000005 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.702 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.49 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 1.8500000000000001 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.487 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 0.58999999999999997 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.1699999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 1.96 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.84999999999999998 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.702 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 0.93999999999999995 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.1099999999999999 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 2.98 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 1.71 110.31 -178.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.093 0 N-CA-C 109.799 -0.445 . . . . 0.79000000000000004 109.799 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.4199999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 0.93999999999999995 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.731 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.77000000000000002 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.731 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.3900000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.0900000000000001 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 0.53000000000000003 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 1.4099999999999999 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 2.6899999999999999 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.85999999999999999 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 1.79 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 0.92000000000000004 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 0.96999999999999997 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 3.9199999999999999 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.71999999999999997 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.2 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.53000000000000003 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.3799999999999999 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.3200000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.0900000000000001 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.1499999999999999 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.516 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.22 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 0.91000000000000003 111.903 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 2.7799999999999998 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 1.8 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 0.54000000000000004 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 0.46999999999999997 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 1.5800000000000001 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 1.71 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 0.66000000000000003 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 0.51000000000000001 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.38 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 0.68000000000000005 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.899 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.49 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 1.8500000000000001 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 0.58999999999999997 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.1699999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.559 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 1.96 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 0.84999999999999998 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.899 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 0.93999999999999995 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.1099999999999999 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 2.98 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 1.71 111.254 -177.708 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.242 -0.281 . . . . 0.79000000000000004 110.242 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.4199999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 0.93999999999999995 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.77000000000000002 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.632 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.3900000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.0900000000000001 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 0.53000000000000003 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 1.4099999999999999 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 2.6899999999999999 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 0.85999999999999999 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 0.82999999999999996 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 1.79 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.92000000000000004 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 0.96999999999999997 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.599 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 3.9199999999999999 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.71999999999999997 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.2 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.53000000000000003 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.3799999999999999 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.3200000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.0900000000000001 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.1499999999999999 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.539 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.22 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.91000000000000003 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 2.7799999999999998 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 1.8 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 0.54000000000000004 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 0.46999999999999997 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 1.5800000000000001 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 1.71 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 0.66000000000000003 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 0.51000000000000001 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 0.38 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.68000000000000005 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.54 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.49 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.599 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 1.8500000000000001 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.58999999999999997 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1699999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 1.96 111.275 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.54 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 0.93999999999999995 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.52 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.1099999999999999 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 2.98 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 1.71 109.849 177.752 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.882 -0.414 . . . . 0.79000000000000004 109.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.4199999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.93999999999999995 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.763 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.763 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.3900000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.0900000000000001 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.53000000000000003 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 1.4099999999999999 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 2.6899999999999999 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 0.85999999999999999 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 0.82999999999999996 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 1.79 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 0.92000000000000004 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 0.96999999999999997 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 3.9199999999999999 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.442 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.71999999999999997 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.2 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.699 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.53000000000000003 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.3799999999999999 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.3200000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.0900000000000001 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.1499999999999999 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.22 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 0.91000000000000003 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 2.7799999999999998 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 1.8 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 0.54000000000000004 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 0.46999999999999997 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 1.5800000000000001 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 1.71 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 0.66000000000000003 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 0.51000000000000001 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 0.38 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 0.68000000000000005 110.371 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 54' ' ' SER . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.534 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 1.8500000000000001 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 0.58999999999999997 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.1699999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 1.96 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.84999999999999998 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 0.93999999999999995 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.1099999999999999 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 2.98 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 1.71 111.967 -174.508 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.461 -0.57 . . . . 0.79000000000000004 109.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.4199999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 0.93999999999999995 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.77000000000000002 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.3900000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.0900000000000001 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 0.53000000000000003 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 1.4099999999999999 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 2.6899999999999999 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 0.85999999999999999 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 0.82999999999999996 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 1.79 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.92000000000000004 109.673 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 0.96999999999999997 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.489 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 3.9199999999999999 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.71999999999999997 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.2 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.53000000000000003 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.3799999999999999 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.3200000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.0900000000000001 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.653 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.1499999999999999 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.662 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.22 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 0.91000000000000003 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 2.7799999999999998 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 1.8 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 0.54000000000000004 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 0.46999999999999997 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 1.5800000000000001 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 1.71 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 0.66000000000000003 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 0.51000000000000001 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 0.68000000000000005 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.49 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 1.8500000000000001 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 0.58999999999999997 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.1699999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.856 ' HA ' HD11 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 1.96 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 0.84999999999999998 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.562 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.74 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 0.93999999999999995 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.1099999999999999 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 2.98 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 1.71 110.372 177.279 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.986 -0.376 . . . . 0.79000000000000004 109.986 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.4199999999999999 109.521 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.93999999999999995 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.77000000000000002 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.3900000000000001 110.244 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.0900000000000001 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.636 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.53000000000000003 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 1.4099999999999999 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 2.6899999999999999 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 0.85999999999999999 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 0.82999999999999996 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 1.79 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.92000000000000004 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 0.96999999999999997 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 3.9199999999999999 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.71999999999999997 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.2 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.636 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.53000000000000003 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.3799999999999999 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.3200000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.0900000000000001 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.1499999999999999 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.22 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.91000000000000003 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 2.7799999999999998 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 1.8 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 0.54000000000000004 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 0.46999999999999997 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 1.5800000000000001 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 1.71 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 0.66000000000000003 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 0.38 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 0.68000000000000005 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.49 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 1.8500000000000001 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 0.58999999999999997 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.1699999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 1.96 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.644 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 0.84999999999999998 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.707 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 0.93999999999999995 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.707 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.1099999999999999 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 2.98 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 1.71 110.366 175.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.692 -0.484 . . . . 0.79000000000000004 109.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.4199999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.93999999999999995 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.77000000000000002 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.3900000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.0900000000000001 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 0.53000000000000003 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.489 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.4099999999999999 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 2.6899999999999999 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 0.85999999999999999 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 0.82999999999999996 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 1.79 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 0.92000000000000004 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 0.96999999999999997 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 3.9199999999999999 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.71999999999999997 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.2 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.53000000000000003 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.3799999999999999 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.3200000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.418 ' O ' HD11 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.0900000000000001 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 20.6 p-80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.1499999999999999 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.22 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 0.91000000000000003 111.01 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 2.7799999999999998 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.609 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 1.8 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 0.54000000000000004 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 0.46999999999999997 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 1.5800000000000001 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 1.71 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 0.66000000000000003 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 0.51000000000000001 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 0.38 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.68000000000000005 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 25.9 t60 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.49 109.531 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 1.8500000000000001 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 0.58999999999999997 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.1699999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.719 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 1.96 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.84999999999999998 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.93999999999999995 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.1099999999999999 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 2.98 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 1.71 111.039 -178.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 109.732 -0.47 . . . . 0.79000000000000004 109.732 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.4199999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.93999999999999995 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.667 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.77000000000000002 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.667 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.3900000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.0900000000000001 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.781 HG22 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 0.53000000000000003 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 1.4099999999999999 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 2.6899999999999999 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 0.85999999999999999 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 0.82999999999999996 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 1.79 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 0.92000000000000004 110.45 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 0.96999999999999997 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 3.9199999999999999 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.71999999999999997 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.2 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.781 ' CD2' HG22 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.53000000000000003 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.3799999999999999 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.3200000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.433 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.0900000000000001 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.673 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' N ' HD23 ' A' ' 44' ' ' LEU . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.22 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.91000000000000003 111.949 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 2.7799999999999998 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.7 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 1.8 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.54000000000000004 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 1.5800000000000001 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 1.71 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 0.66000000000000003 113.418 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.541 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 0.51000000000000001 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 0.38 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 0.68000000000000005 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.49 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 1.8500000000000001 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 0.58999999999999997 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.1699999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.756 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 1.96 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.521 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.84999999999999998 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.674 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 0.93999999999999995 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.674 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.1099999999999999 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 2.98 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 1.71 110.141 175.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.182 0 N-CA-C 109.513 -0.551 . . . . 0.79000000000000004 109.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.4199999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 0.93999999999999995 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.77000000000000002 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.0900000000000001 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 0.53000000000000003 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 1.4099999999999999 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 2.6899999999999999 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 0.85999999999999999 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 0.82999999999999996 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 1.79 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 0.92000000000000004 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 0.96999999999999997 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 3.9199999999999999 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.71999999999999997 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.2 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.53000000000000003 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.3799999999999999 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.3200000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.521 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.0900000000000001 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.1499999999999999 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.22 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.91000000000000003 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 2.7799999999999998 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 1.8 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 0.54000000000000004 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 1.5800000000000001 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 1.71 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 0.66000000000000003 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 0.51000000000000001 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.38 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 0.68000000000000005 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.49 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 1.8500000000000001 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.615 ' HE2' ' HB3' ' A' ' 55' ' ' GLU . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.1699999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.687 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 1.96 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.582 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 0.84999999999999998 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.646 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 0.93999999999999995 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.1099999999999999 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 2.98 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 1.71 111.26 -174.308 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.052 -0.722 . . . . 0.79000000000000004 109.052 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.4199999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.93999999999999995 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.77000000000000002 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.3900000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.0900000000000001 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.53000000000000003 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 1.4099999999999999 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 2.6899999999999999 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 0.85999999999999999 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.63 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 0.82999999999999996 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 1.79 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.92000000000000004 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 0.96999999999999997 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 3.9199999999999999 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.71999999999999997 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.2 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.53000000000000003 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.3799999999999999 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.3200000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.1499999999999999 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.22 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.91000000000000003 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 2.7799999999999998 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 1.8 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.54000000000000004 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.46999999999999997 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 1.5800000000000001 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 1.71 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 0.66000000000000003 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 0.51000000000000001 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.38 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 0.68000000000000005 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.49 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 1.8500000000000001 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 0.58999999999999997 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.1699999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.768 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 1.96 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.84999999999999998 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 0.93999999999999995 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.1099999999999999 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 2.98 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 1.71 111.786 -173.129 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 N-CA-C 110.201 -0.296 . . . . 0.79000000000000004 110.201 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.4199999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 0.93999999999999995 110.456 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.77000000000000002 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.3900000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.0900000000000001 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.53000000000000003 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 1.4099999999999999 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 2.6899999999999999 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 0.85999999999999999 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 0.82999999999999996 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.623 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 0.92000000000000004 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 0.96999999999999997 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 3.9199999999999999 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.71999999999999997 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.2 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.53000000000000003 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.3799999999999999 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.3200000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.623 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.0900000000000001 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.0 p-80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.1499999999999999 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.22 111.385 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 0.91000000000000003 111.523 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 2.7799999999999998 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 0.54000000000000004 110.3 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 0.46999999999999997 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 1.5800000000000001 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 1.71 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 0.66000000000000003 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 0.51000000000000001 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 0.38 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 0.68000000000000005 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.49 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 1.8500000000000001 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 0.58999999999999997 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 1.96 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 0.84999999999999998 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.93999999999999995 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.1099999999999999 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 2.98 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 1.71 111.993 -176.137 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.548 -0.538 . . . . 0.79000000000000004 109.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.4199999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 0.93999999999999995 110.594 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.77000000000000002 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.692 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.3900000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.0900000000000001 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 0.53000000000000003 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 1.4099999999999999 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 2.6899999999999999 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 0.85999999999999999 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 0.82999999999999996 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 1.79 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 0.92000000000000004 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 0.96999999999999997 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 3.9199999999999999 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.71999999999999997 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.2 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.53000000000000003 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.3799999999999999 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.3200000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.0900000000000001 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 13.4 p-80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.1499999999999999 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.346 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.91000000000000003 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 2.7799999999999998 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 1.8 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 0.54000000000000004 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 1.71 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 0.66000000000000003 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.51000000000000001 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.38 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 0.68000000000000005 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 61.2 t60 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.49 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.68 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 1.8500000000000001 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.615 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 0.58999999999999997 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.1699999999999999 110.638 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.771 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 1.96 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 0.84999999999999998 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.93999999999999995 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.1099999999999999 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 2.98 111.408 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 1.71 111.415 -176.82 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.534 -0.543 . . . . 0.79000000000000004 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.4199999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 0.93999999999999995 110.342 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.77000000000000002 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.3900000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.0900000000000001 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 0.53000000000000003 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 1.4099999999999999 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.689 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 2.6899999999999999 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 0.85999999999999999 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.82999999999999996 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 1.79 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 0.92000000000000004 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 0.96999999999999997 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 3.9199999999999999 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.71999999999999997 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.2 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.53000000000000003 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.3799999999999999 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.3200000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.502 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.0900000000000001 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.648 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.1499999999999999 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.481 ' N ' HD23 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.22 111.148 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.91000000000000003 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 2.7799999999999998 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 1.8 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 0.54000000000000004 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 0.46999999999999997 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 1.5800000000000001 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 1.71 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 0.66000000000000003 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.555 HG23 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 0.51000000000000001 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.38 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 0.68000000000000005 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.661 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.49 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 1.8500000000000001 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.555 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 0.58999999999999997 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.1699999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.699 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 1.96 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 0.84999999999999998 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.661 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 0.93999999999999995 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.1099999999999999 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 2.98 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 1.71 111.206 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.251 0 N-CA-C 109.777 -0.453 . . . . 0.79000000000000004 109.777 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.4199999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.754 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 0.93999999999999995 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.754 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.77000000000000002 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 14' ' ' GLU . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.3900000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.0900000000000001 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 0.53000000000000003 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 1.4099999999999999 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 2.6899999999999999 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 0.85999999999999999 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 0.82999999999999996 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 1.79 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 0.92000000000000004 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 0.96999999999999997 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 3.9199999999999999 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.71999999999999997 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.2 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.64 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.53000000000000003 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.3799999999999999 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.3200000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.0900000000000001 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.1499999999999999 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 44' ' ' LEU . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.22 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 0.91000000000000003 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 2.7799999999999998 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.679 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 1.8 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 0.54000000000000004 112.04 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.46999999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 1.5800000000000001 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 1.71 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 0.66000000000000003 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 0.51000000000000001 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 0.38 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 0.68000000000000005 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.49 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 1.8500000000000001 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 0.58999999999999997 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.1699999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 1.96 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.744 HG22 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 0.84999999999999998 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.1099999999999999 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 2.98 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 1.71 111.886 -175.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.465 -0.568 . . . . 0.79000000000000004 109.465 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.4199999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.93999999999999995 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.77000000000000002 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.3900000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.734 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 0.53000000000000003 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 1.4099999999999999 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 2.6899999999999999 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.85999999999999999 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 0.82999999999999996 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 1.79 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.456 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 0.92000000000000004 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 0.96999999999999997 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.637 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 3.9199999999999999 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.71999999999999997 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.2 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.53000000000000003 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.3799999999999999 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.3200000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.0900000000000001 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.1499999999999999 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.22 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.91000000000000003 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 2.7799999999999998 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 1.8 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 0.54000000000000004 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 0.46999999999999997 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 1.5800000000000001 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 1.71 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 0.66000000000000003 112.179 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 0.51000000000000001 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 0.38 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 0.68000000000000005 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.49 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 1.8500000000000001 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.58999999999999997 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.1699999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.772 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 1.96 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.506 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 0.84999999999999998 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.93999999999999995 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.1099999999999999 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.98 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 1.71 111.52 -176.32 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.045 -0.354 . . . . 0.79000000000000004 110.045 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.4199999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.93999999999999995 110.99 176.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.675 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.77000000000000002 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.675 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.3900000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.0900000000000001 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.53000000000000003 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 1.4099999999999999 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 2.6899999999999999 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 0.85999999999999999 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 0.82999999999999996 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 1.79 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 0.92000000000000004 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 0.96999999999999997 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 3.9199999999999999 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.71999999999999997 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.2 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.641 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.53000000000000003 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.3799999999999999 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.3200000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.518 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.0900000000000001 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.1499999999999999 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.22 110.585 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.91000000000000003 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.498 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 2.7799999999999998 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 1.8 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 0.54000000000000004 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 0.46999999999999997 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 1.5800000000000001 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 1.71 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 0.66000000000000003 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.561 HG23 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 0.51000000000000001 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 0.38 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.68000000000000005 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.55 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.49 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 1.8500000000000001 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.58999999999999997 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.1699999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 1.96 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.596 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 0.84999999999999998 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.93999999999999995 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.68 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.1099999999999999 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 2.98 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.71 112.234 -171.16 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 -0.29 0 N-CA-C 109.609 -0.515 . . . . 0.79000000000000004 109.609 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.4199999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.93999999999999995 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.77000000000000002 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.769 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.3900000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 18' ' ' TYR . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.0900000000000001 111.312 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.53000000000000003 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HE2' ' HG1' ' A' ' 16' ' ' THR . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 1.4099999999999999 110.158 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 2.6899999999999999 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.85999999999999999 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 0.82999999999999996 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 1.79 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 0.92000000000000004 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 0.96999999999999997 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 3.9199999999999999 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.71999999999999997 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.2 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.769 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.53000000000000003 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.3799999999999999 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 31' ' ' HIS . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.3200000000000001 110.741 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.0900000000000001 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.1499999999999999 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.22 111.176 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.91000000000000003 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 2.7799999999999998 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 1.8 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 0.54000000000000004 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 0.46999999999999997 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 1.5800000000000001 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 1.71 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 0.66000000000000003 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 0.51000000000000001 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 0.38 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 0.68000000000000005 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.838 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.49 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 1.8500000000000001 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.58999999999999997 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.81 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.1699999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.656 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 1.96 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 0.84999999999999998 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.838 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.93999999999999995 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.1099999999999999 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 1.71 111.217 -175.235 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.671 0.272 . . . . 0.79000000000000004 110.739 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.4199999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 0.93999999999999995 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.77000000000000002 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.3900000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.0900000000000001 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.53000000000000003 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 1.4099999999999999 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 2.6899999999999999 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 0.85999999999999999 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 0.82999999999999996 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 1.79 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 0.92000000000000004 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 0.96999999999999997 111.155 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 3.9199999999999999 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.2 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.53000000000000003 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.3799999999999999 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.3200000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.0900000000000001 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.671 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.1499999999999999 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.449 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.22 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.91000000000000003 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 2.7799999999999998 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 1.8 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 0.54000000000000004 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 0.46999999999999997 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 1.5800000000000001 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 1.71 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 0.66000000000000003 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 0.51000000000000001 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 0.38 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.68000000000000005 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 1.006 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.49 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 0.58999999999999997 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.1699999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.49 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 1.96 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.485 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 0.84999999999999998 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 1.006 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 0.93999999999999995 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.1099999999999999 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 2.98 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 1.71 110.001 179.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.741 0 N-CA-C 111.88 -0.488 . . . . 1.6299999999999999 111.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -121.09 -171.11 2.13 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.647 -0.501 . . . . 0.79000000000000004 109.647 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -129.87 147.8 51.67 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.879 -0.786 . . . . 2.4199999999999999 108.879 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 12.9 t -62.09 137.44 58.25 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.282 -0.872 . . . . 0.63 111.024 -174.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -66.63 -12.63 59.54 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-N 115.473 -0.785 . . . . 0.91000000000000003 112.006 171.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -109.38 -55.55 2.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.776 0.322 . . . . 0.93999999999999995 110.133 176.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.629 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 78.7 m -73.61 165.69 24.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.878 0.847 . . . . 0.77000000000000002 111.434 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.6 8.81 43.29 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.601 -1.259 . . . . 2.73 107.601 165.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 31.3 mttp -92.62 168.89 10.93 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.66 -1.609 . . . . 2.3900000000000001 109.562 -179.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 145.48 27.8 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.955 -0.566 . . . . 1.0900000000000001 112.438 -178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG22 ' CD2' ' A' ' 31' ' ' HIS . 54.7 t -108.45 136.1 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.759 -0.655 . . . . 0.53000000000000003 109.296 173.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 3.0 m-85 -119.93 177.04 5.13 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 108.879 -0.786 . . . . 1.4099999999999999 108.879 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.0 t60 -63.13 -18.74 63.76 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.68 -0.489 . . . . 2.6899999999999999 109.68 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.32 -48.15 62.45 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.578 -0.737 . . . . 0.85999999999999999 111.72 178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -142.08 46.06 1.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.085 0.469 . . . . 2.8599999999999999 111.232 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 35.8 tt0 -89.83 115.53 27.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.022 -0.536 . . . . 1.28 111.743 -178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 32' ' ' LYS . 78.2 mt -108.28 119.18 57.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 108.546 -0.909 . . . . 0.82999999999999996 108.546 165.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -92.41 102.51 14.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.265 -0.425 . . . . 1.79 110.223 -179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 42.7 t -108.05 124.98 51.01 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.376 -0.602 . . . . 0.92000000000000004 109.376 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.1 t30 66.77 -75.71 0.05 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.883 0.739 . . . . 2.0600000000000001 110.546 -178.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -163.71 21.77 0.16 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.687 -0.565 . . . . 0.96999999999999997 111.687 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 28' ' ' ARG . 9.9 tpt180 -131.19 140.32 49.88 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.93 -0.396 . . . . 3.9199999999999999 109.93 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.436 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 21.9 m -84.35 121.54 27.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.079 -0.51 . . . . 0.71999999999999997 110.665 177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 96.2 m-85 -114.59 148.01 38.66 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.974 -0.557 . . . . 1.2 109.677 176.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.723 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.0 m170 -67.01 146.19 54.62 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.095 -0.706 . . . . 0.53000000000000003 109.095 171.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.7 ttmm -59.62 -28.01 66.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.262 0.553 . . . . 2.3799999999999999 109.515 173.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.5 p -82.66 -5.33 58.78 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.627 -0.715 . . . . 1.3200000000000001 111.934 177.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.553 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 35.9 m -125.35 9.22 7.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.613 0.244 . . . . 0.63 111.509 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -81.73 -7.46 59.6 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.229 0.538 . . . . 1.0900000000000001 111.459 -175.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 16.6 p-80 -85.3 173.88 10.01 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.54 -0.464 . . . . 1.1499999999999999 111.06 -177.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.6 t -52.4 127.56 22.77 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.654 0.74 . . . . 0.76000000000000001 112.778 -167.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.5 mmt -74.9 -23.55 58.39 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.393 -1.276 . . . . 1.22 111.236 177.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -86.32 -52.3 5.71 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.161 0.43 . . . . 0.91000000000000003 112.161 -173.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.5 p -100.88 -87.43 0.38 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.324 -0.621 . . . . 1.3799999999999999 109.324 174.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 8.1 tpp180 174.67 7.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 123.965 0.791 . . . . 2.7799999999999998 110.999 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 87.1 tttt -58.44 138.42 56.64 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.691 0.282 . . . . 1.8 111.481 -177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -74.46 118.77 17.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.245 -0.434 . . . . 0.54000000000000004 110.735 178.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.776 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -92.26 152.93 19.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.212 0.53 . . . . 0.46999999999999997 111.973 -177.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.48 ' O ' HG12 ' A' ' 49' ' ' VAL . 26.4 t70 -116.0 165.87 12.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.175 -0.92 . . . . 2.1699999999999999 108.879 174.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.0 m -45.19 -44.72 11.13 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 113.181 0.808 . . . . 1.5800000000000001 113.181 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.7 m -99.29 -7.8 25.85 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.082 0.401 . . . . 1.71 112.082 -172.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -99.67 -19.3 16.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 121.769 -0.582 . . . . 0.66000000000000003 112.129 -175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.514 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -72.0 132.57 33.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.057 0.456 . . . . 0.51000000000000001 111.015 177.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.53 108.37 19.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.873 -0.603 . . . . 0.38 110.1 177.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.55 134.66 51.02 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 0.68000000000000005 110.988 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -138.49 118.25 13.17 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.711 -0.677 . . . . 1.49 110.049 178.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 66.85 -82.67 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.845 0.716 . . . . 2.3599999999999999 111.215 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.8 p -136.17 2.85 2.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.94 0.4 . . . . 1.8500000000000001 110.983 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 38.0 mm-40 -109.64 141.13 42.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.423 -0.353 . . . . 2.5 111.079 -174.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.514 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -130.86 125.92 59.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.876 -0.602 . . . . 0.58999999999999997 109.988 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -144.77 174.77 10.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.366 -0.379 . . . . 1.1699999999999999 110.51 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.776 ' HA ' HD11 ' A' ' 44' ' ' LEU . 14.7 p -75.2 167.98 20.87 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.091 -0.707 . . . . 0.91000000000000003 109.091 171.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -70.33 -13.11 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.747 0.308 . . . . 1.96 111.118 -178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.514 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 54.6 t -78.86 -51.19 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.372 -0.377 . . . . 0.84999999999999998 110.306 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.8 m -71.73 -32.37 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.64000000000000001 110.627 178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -62.34 -42.5 99.44 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.335 -0.617 . . . . 0.93999999999999995 109.335 173.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.81 -6.62 87.22 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.899 -0.591 . . . . 0.80000000000000004 112.415 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -86.99 -55.82 3.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.82 -0.437 . . . . 3.1099999999999999 109.82 173.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 -70.43 -45.11 66.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.923 -0.58 . . . . 2.98 111.182 -177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-O 121.219 0.533 . . . . 1.71 109.84 179.567 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.226 0 N-CA-C 111.974 -0.451 . . . . 1.6299999999999999 111.974 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.14 178.21 6.05 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.653 -0.499 . . . . 0.79000000000000004 109.653 177.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -127.57 142.82 51.27 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.621 -0.511 . . . . 2.4199999999999999 109.621 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.582 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 30.8 t -64.26 131.67 48.02 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.665 -0.698 . . . . 0.63 109.904 176.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.29 -15.01 76.88 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.731 -0.668 . . . . 0.91000000000000003 112.156 174.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.15 -44.72 7.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.374 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 68.1 m -90.23 -170.56 2.8 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.659 0.742 . . . . 0.77000000000000002 110.632 177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE2' ' HG3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -114.59 3.93 14.99 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.54 -1.281 . . . . 2.73 107.54 166.214 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.429 ' HG3' ' OE2' ' A' ' 14' ' ' GLU . 56.4 mttp -87.08 167.57 14.07 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 113.896 -1.502 . . . . 2.3900000000000001 110.691 -175.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 m -84.41 146.6 27.57 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.468 -0.787 . . . . 1.0900000000000001 112.227 -170.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 11.1 t -123.72 132.87 70.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.866 -1.061 . . . . 0.53000000000000003 109.313 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -111.59 -163.53 0.86 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.167 -0.308 . . . . 1.4099999999999999 110.167 -177.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -71.03 -12.51 61.56 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.695 0.283 . . . . 2.6899999999999999 111.637 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.63 -54.88 4.43 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.226 0.536 . . . . 0.85999999999999999 111.851 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -109.28 42.19 1.5 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.67 -0.696 . . . . 2.8599999999999999 111.263 -170.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -107.26 126.8 52.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.2 0.524 . . . . 1.28 111.842 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 32' ' ' LYS . 44.0 mt -123.49 120.05 59.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.217 -0.901 . . . . 0.82999999999999996 108.725 165.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.47 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 58.8 mt-30 -96.85 103.47 15.4 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.089 0.471 . . . . 1.79 110.784 179.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 47.5 t -85.84 98.37 10.73 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.908 -0.775 . . . . 0.92000000000000004 108.908 175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 71.8 -58.0 0.6 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.1 0.875 . . . . 2.0600000000000001 111.095 -177.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -147.5 -38.32 0.05 OUTLIER Glycine 0 CA--C 1.52 0.402 0 C-N-CA 120.411 -0.9 . . . . 0.96999999999999997 113.707 -177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 99.5 mtt180 -83.8 144.27 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.254 0.527 . . . . 3.9199999999999999 111.676 -173.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.0 m -93.31 123.7 36.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.883 -0.599 . . . . 0.71999999999999997 110.334 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -119.39 155.44 31.95 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.317 -0.623 . . . . 1.2 109.317 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 20.7 m80 -60.39 145.27 48.59 Favored 'General case' 0 CA--C 1.516 -0.354 0 N-CA-C 108.982 -0.747 . . . . 0.53000000000000003 108.982 172.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HA ' HD12 ' A' ' 23' ' ' ILE . 21.5 ttpt -58.51 -27.19 64.26 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.574 -0.739 . . . . 2.3799999999999999 110.159 176.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -83.2 -22.87 33.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.739 -0.664 . . . . 1.3200000000000001 110.941 175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 89.2 m -91.83 6.87 44.44 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.309 -0.405 . . . . 0.63 111.616 -176.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.448 ' CD1' HG21 ' A' ' 23' ' ' ILE . 41.0 t80 -79.23 72.28 5.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.595 0.712 . . . . 1.0900000000000001 110.429 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.6 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.8 p-80 -159.45 175.33 13.44 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.241 -0.89 . . . . 1.1499999999999999 108.805 176.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.531 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.5 t -62.12 118.27 7.12 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.383 0.611 . . . . 0.76000000000000001 111.765 -168.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -12.28 60.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.817 -1.083 . . . . 1.22 111.611 176.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -87.4 -48.65 7.79 Favored 'General case' 0 CA--C 1.523 -0.093 0 N-CA-C 111.799 0.296 . . . . 0.91000000000000003 111.799 -176.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 26.3 p -108.81 -87.34 0.5 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 120.4 -0.52 . . . . 1.3799999999999999 109.691 177.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 9.3 tpp180 178.93 16.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.003 0.815 . . . . 2.7799999999999998 110.066 168.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.6 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.6 tptt -58.12 132.61 54.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.408 -0.815 . . . . 1.8 110.466 -178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.26 115.07 18.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.888 -0.412 . . . . 0.54000000000000004 109.888 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.624 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -88.32 155.15 19.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.459 0.647 . . . . 0.46999999999999997 112.373 -174.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -116.34 159.66 21.61 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.783 -1.098 . . . . 2.1699999999999999 108.73 171.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 m -52.41 -35.74 52.54 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 117.984 0.356 . . . . 1.5800000000000001 111.766 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.3 p -98.17 6.21 47.73 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.645 0.609 . . . . 1.71 112.645 -174.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.6 p -124.5 -3.32 7.87 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.347 0.499 . . . . 0.66000000000000003 112.347 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -81.7 128.63 38.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.236 0.541 . . . . 0.51000000000000001 111.39 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.73 107.46 19.96 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.626 -0.715 . . . . 0.38 109.922 176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.94 104.42 13.01 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.087 0.47 . . . . 0.68000000000000005 110.564 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.702 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.4 t60 -98.96 99.9 11.0 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.725 -0.842 . . . . 1.49 108.725 176.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 61.63 -109.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.997 -0.547 . . . . 2.3599999999999999 110.465 -174.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -102.33 14.28 32.37 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.942 0.401 . . . . 1.8500000000000001 111.249 -178.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.67 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.2 mt-10 -118.49 102.67 9.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.278 -0.419 . . . . 2.5 111.775 -176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.487 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -99.11 126.8 52.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.538 -0.756 . . . . 0.58999999999999997 110.252 177.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.67 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.0 m-85 -147.83 174.73 11.56 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.089 0.471 . . . . 1.1699999999999999 111.046 178.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.72 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 14.3 p -73.95 165.22 25.51 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.905 -0.776 . . . . 0.91000000000000003 108.905 172.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -75.7 -4.75 42.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.644 0.259 . . . . 1.96 110.887 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.72 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 87.1 t -79.61 -51.29 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.84999999999999998 109.889 175.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 76.2 m -71.84 -34.0 68.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 0.64000000000000001 110.8 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.702 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 23.8 t80 -67.99 -41.52 82.18 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.623 -0.51 . . . . 0.93999999999999995 109.623 176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.67 -8.41 87.2 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.98 -0.629 . . . . 0.80000000000000004 111.966 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 64' ' ' ARG . 45.9 ttm180 -87.71 -40.84 13.79 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.082 0.468 . . . . 3.1099999999999999 109.987 175.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -80.36 -30.27 37.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.867 -0.606 . . . . 2.98 110.906 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.982 -0.553 . . . . 1.71 110.31 -178.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.415 0 N-CA-C 112.069 -0.412 . . . . 1.6299999999999999 112.069 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -104.22 -176.2 3.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.799 -0.445 . . . . 0.79000000000000004 109.799 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 12.3 ptmm? -124.39 143.96 50.31 Favored 'General case' 0 CA--C 1.506 -0.716 0 N-CA-C 108.873 -0.788 . . . . 2.4199999999999999 108.873 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 49.8 t -64.97 140.69 58.89 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.616 -0.72 . . . . 0.63 110.479 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -81.52 -4.49 90.39 Favored Glycine 0 C--N 1.316 -0.537 0 CA-C-N 115.447 -0.797 . . . . 0.91000000000000003 112.326 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -111.63 -39.56 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.21 0.528 . . . . 0.93999999999999995 110.53 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.731 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 37.7 m -97.84 166.25 11.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.742 -0.663 . . . . 0.77000000000000002 109.491 174.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -99.28 18.16 18.28 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.222 -1.029 . . . . 2.73 108.222 164.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.731 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 47.1 mttp -84.38 176.16 8.87 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 114.277 -1.328 . . . . 2.3900000000000001 109.506 175.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.1 m -97.49 142.23 29.59 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.509 -0.769 . . . . 1.0900000000000001 110.442 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 44.8 t -110.91 119.91 60.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.795 -0.446 . . . . 0.53000000000000003 109.795 175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -101.86 175.86 5.41 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.645 -0.707 . . . . 1.4099999999999999 110.053 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.6 p80 -55.09 -26.08 35.59 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.805 0.336 . . . . 2.6899999999999999 111.567 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.55 -43.37 89.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.85999999999999999 111.892 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' CD2' ' A' ' 31' ' ' HIS . 0.5 OUTLIER -127.91 37.91 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.015 -172.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -98.95 119.7 38.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.397 -0.82 . . . . 1.28 111.894 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.714 HD12 ' HA ' ' A' ' 32' ' ' LYS . 8.5 mt -114.3 123.22 69.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.5 -0.556 . . . . 0.82999999999999996 109.5 167.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -90.79 103.43 16.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.969 0.414 . . . . 1.79 110.082 177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.8 t -97.89 99.3 10.6 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.404 -0.591 . . . . 0.92000000000000004 109.404 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.0 t30 66.23 -74.67 0.06 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.224 -0.898 . . . . 2.0600000000000001 111.294 -177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -144.74 8.29 1.77 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.683 -0.77 . . . . 0.96999999999999997 112.374 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -123.17 136.6 54.83 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.709 0.29 . . . . 3.9199999999999999 110.958 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -86.8 130.57 34.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.929 -0.578 . . . . 0.71999999999999997 110.446 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 93.1 m-85 -132.5 168.31 18.43 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.465 -0.334 . . . . 1.2 110.463 177.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' CD2' ' HG3' ' A' ' 21' ' ' GLU . 1.9 m80 -67.92 147.01 53.06 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.809 -0.441 . . . . 0.53000000000000003 109.809 172.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 23' ' ' ILE . 81.8 tttt -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.432 0.634 . . . . 2.3799999999999999 109.313 171.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.5 p -83.2 -23.06 32.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.387 -0.824 . . . . 1.3200000000000001 111.551 178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 37.9 m -107.6 30.0 6.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.144 0.497 . . . . 0.63 110.821 -176.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' CD1' HG21 ' A' ' 23' ' ' ILE . 44.1 t80 -88.12 7.38 31.88 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.699 0.762 . . . . 1.0900000000000001 110.961 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.6 p-80 -92.7 174.91 7.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.131 -0.486 . . . . 1.1499999999999999 111.309 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.516 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -55.79 128.8 36.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.474 0.654 . . . . 0.76000000000000001 111.823 -171.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.595 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 25.7 mmt -74.51 -12.05 60.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.204 -0.907 . . . . 1.22 111.297 177.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.86 -65.58 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.903 0.334 . . . . 0.91000000000000003 111.903 -176.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.472 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 30.9 p -99.82 -5.02 29.23 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 121.096 -0.242 . . . . 1.3799999999999999 111.435 -173.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.595 ' NH1' ' HA ' ' A' ' 38' ' ' MET . 0.7 OUTLIER 70.36 17.28 7.01 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.001 -0.545 . . . . 2.7799999999999998 111.898 -179.039 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.0 tptt -59.48 133.14 55.82 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.332 -0.618 . . . . 1.8 109.332 170.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -69.83 129.85 40.66 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.933 -0.307 . . . . 0.54000000000000004 110.417 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.5 mm? -110.3 148.77 31.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.372 0.606 . . . . 0.46999999999999997 112.056 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -115.96 160.67 19.93 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.555 -0.905 . . . . 2.1699999999999999 108.555 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -54.1 -28.48 39.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.076 0.465 . . . . 1.5800000000000001 111.366 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.6 m -77.47 -27.86 52.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.22 -0.446 . . . . 1.71 112.013 -178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 20.7 p -109.51 -19.79 13.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.594 0.961 . . . . 0.66000000000000003 113.594 -168.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.478 HG23 HG13 ' A' ' 56' ' ' ILE . 2.3 p -67.02 135.35 28.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 N-CA-C 112.504 0.557 . . . . 0.51000000000000001 112.504 -176.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.43 106.92 17.6 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.589 -0.732 . . . . 0.38 109.767 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -93.82 128.73 40.22 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.161 -0.472 . . . . 0.68000000000000005 110.379 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.899 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 51.5 t60 -115.08 94.78 4.89 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.187 -0.461 . . . . 1.49 109.94 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 61.9 -80.14 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.959 0.787 . . . . 2.3599999999999999 111.878 177.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.7 p -126.09 26.65 6.47 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.234 0.54 . . . . 1.8500000000000001 110.685 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 35.1 mt-10 -134.13 163.15 30.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.7 -0.682 . . . . 2.5 110.726 -178.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.478 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.02 127.07 7.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 C-N-CA 122.681 0.393 . . . . 0.58999999999999997 110.312 178.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.506 ' CE1' ' HB3' ' A' ' 55' ' ' GLU . 57.5 m-85 -145.96 175.09 10.7 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.191 -0.459 . . . . 1.1699999999999999 110.415 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.559 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.1 p -77.32 162.48 27.27 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 108.594 -0.891 . . . . 0.91000000000000003 108.594 170.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -73.19 -7.42 51.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.97 0.414 . . . . 1.96 111.251 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.559 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.2 t -79.36 -53.27 13.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 109.725 -0.472 . . . . 0.84999999999999998 109.725 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 77.6 m -67.73 -33.06 74.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.421 -0.354 . . . . 0.64000000000000001 110.71 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.899 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 22.3 t80 -64.53 -37.04 86.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.396 -0.594 . . . . 0.93999999999999995 109.396 176.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -76.03 -21.47 76.08 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.763 -0.653 . . . . 0.80000000000000004 112.591 177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 99.8 mtt180 -81.06 -51.53 8.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.739 0.304 . . . . 3.1099999999999999 110.662 177.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -64.47 -47.89 77.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.046 -0.525 . . . . 2.98 110.82 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 . . . . . 0 C--N 1.326 -0.447 0 CA-C-O 120.848 0.356 . . . . 1.71 111.254 -177.708 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 111.519 -0.632 . . . . 1.6299999999999999 111.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -105.93 -170.65 1.77 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 110.242 -0.281 . . . . 0.79000000000000004 110.242 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -120.1 139.89 51.88 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.655 -0.869 . . . . 2.4199999999999999 108.655 174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' C ' ' H ' ' A' ' 12' ' ' ALA . 26.8 t -53.44 133.73 40.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-O 121.192 0.52 . . . . 0.63 111.312 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.16 28.84 2.22 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.453 -0.794 . . . . 0.91000000000000003 111.491 171.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' H ' ' C ' ' A' ' 10' ' ' CYS . . . -148.4 -59.7 0.24 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.419 -0.586 . . . . 0.93999999999999995 109.419 175.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.532 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 7.6 m -82.86 161.43 21.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.764 -0.653 . . . . 0.77000000000000002 109.671 176.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -89.63 24.98 2.13 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.673 0.749 . . . . 2.73 109.279 168.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.632 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 43.0 mmtm -98.77 153.88 18.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 114.87 -1.059 . . . . 2.3900000000000001 109.44 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -75.68 131.31 39.81 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.075 -0.512 . . . . 1.0900000000000001 110.662 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.0 t -92.93 138.19 20.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.623 -0.51 . . . . 0.53000000000000003 109.623 175.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -124.09 172.56 8.91 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 1.4099999999999999 109.488 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 20.0 p80 -62.63 -10.18 11.48 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.281 0.562 . . . . 2.6899999999999999 109.871 172.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.33 -49.0 78.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.41 -0.814 . . . . 0.85999999999999999 111.928 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.541 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 13.6 pt-20 -144.29 50.5 1.31 Allowed 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 120.206 -0.597 . . . . 2.8599999999999999 112.497 -175.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.448 ' HG3' ' OG ' ' A' ' 29' ' ' SER . 36.0 tt0 -89.98 131.15 36.03 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.022 0.439 . . . . 1.28 111.729 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.98 118.45 46.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.893 -0.78 . . . . 0.82999999999999996 108.893 166.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -97.23 105.07 17.15 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.085 0.469 . . . . 1.79 110.362 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 51.2 t -102.42 107.5 18.51 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.666 -0.697 . . . . 0.92000000000000004 110.052 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.0 t30 69.17 -68.42 0.19 Allowed 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.934 0.771 . . . . 2.0600000000000001 111.59 177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.04 13.41 0.47 Allowed Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.726 -0.75 . . . . 0.96999999999999997 112.581 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.599 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 21.4 mtp180 -126.21 136.32 52.68 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.674 -0.309 . . . . 3.9199999999999999 110.265 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.448 ' OG ' ' HG3' ' A' ' 22' ' ' GLU . 27.7 t -96.65 114.11 25.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.812 -0.44 . . . . 0.71999999999999997 109.812 179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -109.55 163.41 13.48 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.929 -0.578 . . . . 1.2 109.885 -178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.783 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 40.7 m80 -80.41 160.58 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.443 -0.577 . . . . 0.53000000000000003 109.443 168.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -68.24 -26.96 65.96 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.091 0.472 . . . . 2.3799999999999999 110.296 173.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.9 m -69.79 -44.54 69.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 1.3200000000000001 111.607 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.783 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 2.3 p -90.34 -10.59 43.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 111.967 0.358 . . . . 0.63 111.967 -172.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -68.98 78.6 0.32 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.395 0.617 . . . . 1.0900000000000001 111.571 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.593 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 12.9 p-80 -163.93 177.04 8.86 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.072 -0.714 . . . . 1.1499999999999999 109.072 175.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.539 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.2 t -57.25 121.94 11.32 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.372 0.606 . . . . 0.76000000000000001 111.644 -170.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -75.3 -12.74 60.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.864 -1.062 . . . . 1.22 111.208 177.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.52 ' HB1' HH22 ' A' ' 64' ' ' ARG . . . -91.59 -59.81 2.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.91000000000000003 111.746 -175.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.0 p -96.1 -87.84 0.29 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.174 -0.611 . . . . 1.3799999999999999 109.68 178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 16.0 tpp180 176.5 20.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.483 -0.78 . . . . 2.7799999999999998 109.565 172.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.593 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.1 OUTLIER -62.93 128.87 37.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.709 -0.678 . . . . 1.8 110.597 -179.227 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.32 118.23 12.88 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.558 -0.534 . . . . 0.54000000000000004 109.558 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.539 HD23 ' N ' ' A' ' 37' ' ' CYS . 1.9 mm? -95.86 155.29 16.81 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.456 0.646 . . . . 0.46999999999999997 111.897 -174.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -110.46 166.67 10.8 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.833 -1.173 . . . . 2.1699999999999999 107.833 172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -66.2 -17.73 64.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.3 0.571 . . . . 1.5800000000000001 110.145 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.2 m -90.46 -35.6 15.03 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.511 -0.768 . . . . 1.71 111.79 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 p -96.45 -10.77 26.74 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.107 0.78 . . . . 0.66000000000000003 113.107 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.48 129.14 28.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.376 0.608 . . . . 0.51000000000000001 112.003 -178.087 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.41 108.77 21.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.244 -0.889 . . . . 0.38 109.403 174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -110.69 136.8 49.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.068 0.461 . . . . 0.68000000000000005 111.219 -177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.54 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 12.1 t60 -126.23 101.16 6.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.667 -0.697 . . . . 1.49 109.191 174.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 69.25 -71.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 123.546 0.738 . . . . 2.3599999999999999 111.76 178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.599 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 6.5 t -143.75 9.24 1.54 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.24 0.543 . . . . 1.8500000000000001 110.592 -177.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -120.42 128.83 53.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.251 -0.431 . . . . 2.5 110.73 -176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 133.51 64.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.105 -0.498 . . . . 0.58999999999999997 111.026 -174.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -145.67 175.31 10.47 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1699999999999999 110.513 177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 13.2 p -74.64 165.09 25.79 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.509 -0.922 . . . . 0.91000000000000003 108.509 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -66.55 -21.6 66.15 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.939 0.4 . . . . 1.96 111.275 -175.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 43.0 t -74.69 -51.24 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.335 -0.393 . . . . 0.84999999999999998 110.549 -178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.9 m -69.75 -32.29 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.356 -0.384 . . . . 0.64000000000000001 111.399 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.54 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 31.8 t80 -59.66 -42.29 92.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.467 -0.568 . . . . 0.93999999999999995 109.467 176.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.48 -29.59 71.53 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.713 -0.676 . . . . 0.80000000000000004 112.407 177.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.52 HH22 ' HB1' ' A' ' 39' ' ' ALA . 40.8 ttp-105 -74.73 -38.58 62.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.126 0.489 . . . . 3.1099999999999999 110.846 179.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -67.18 -42.74 83.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.071 -0.513 . . . . 2.98 110.592 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 122.076 0.941 . . . . 1.71 109.849 177.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 111.326 -0.709 . . . . 1.6299999999999999 111.326 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.32 177.68 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.882 -0.414 . . . . 0.79000000000000004 109.882 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.48 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.29 139.75 50.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.015 -0.735 . . . . 2.4199999999999999 109.015 178.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -54.85 131.37 44.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.808 -0.633 . . . . 0.63 110.674 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.17 -17.62 24.53 Favored Glycine 0 CA--C 1.521 0.461 0 C-N-CA 120.876 -0.678 . . . . 0.91000000000000003 112.404 173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.73 -51.74 2.89 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.93999999999999995 110.92 176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.763 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 24.1 m -89.9 152.25 21.33 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 121.189 0.519 . . . . 0.77000000000000002 111.225 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.24 5.96 18.28 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.776 -0.824 . . . . 2.73 108.776 165.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.763 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 28.1 mmmt -78.17 156.4 29.88 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 114.721 -1.127 . . . . 2.3900000000000001 108.692 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.39 146.71 31.36 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.194 0.521 . . . . 1.0900000000000001 111.935 -174.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.699 HG22 ' CD2' ' A' ' 31' ' ' HIS . 38.8 t -119.32 126.0 74.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 115.22 -0.9 . . . . 0.53000000000000003 110.079 175.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.458 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 56.1 m-85 -111.38 174.34 5.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.293 -1.002 . . . . 1.4099999999999999 108.293 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -65.28 -13.43 58.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.287 -0.565 . . . . 2.6899999999999999 110.785 -177.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.0 -53.88 51.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.564 -0.744 . . . . 0.85999999999999999 111.14 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -125.17 34.84 4.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.325 -0.398 . . . . 2.8599999999999999 110.751 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 33.8 tt0 -89.93 126.84 35.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.367 -0.379 . . . . 1.28 111.273 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 93.1 mt -121.5 118.89 57.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 108.59 -0.892 . . . . 0.82999999999999996 108.59 164.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 20.4 mt-30 -100.83 103.64 14.85 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.275 0.56 . . . . 1.79 111.317 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' C ' ' H ' ' A' ' 27' ' ' GLY . 0.8 OUTLIER -113.29 131.75 55.81 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.291 -0.868 . . . . 0.92000000000000004 109.723 177.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 61.8 t30 70.94 -25.82 0.17 Allowed 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.817 0.698 . . . . 2.0600000000000001 111.795 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 134.53 17.19 0.98 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.8 -0.714 . . . . 0.96999999999999997 112.35 -179.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.2 mmt180 -128.24 144.86 51.16 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.589 -0.36 . . . . 3.9199999999999999 110.288 178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.442 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 39.9 m -89.05 118.77 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.71999999999999997 110.996 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -114.24 155.18 26.61 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.122 -0.695 . . . . 1.2 109.122 174.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.699 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.2 m170 -66.44 148.71 51.49 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 109.465 -0.568 . . . . 0.53000000000000003 109.465 172.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.0 tttm -58.42 -27.24 64.12 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.786 -0.643 . . . . 2.3799999999999999 110.005 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -85.22 -10.06 57.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.621 -0.718 . . . . 1.3200000000000001 111.617 176.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 67.3 m -111.74 19.32 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.281 -0.418 . . . . 0.63 110.974 -177.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' CZ ' HG11 ' A' ' 49' ' ' VAL . 32.3 t80 -90.14 -8.02 52.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.994 0.426 . . . . 1.0900000000000001 111.802 -175.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.522 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 4.6 p-80 -91.36 166.22 13.01 Favored 'General case' 0 C--N 1.32 -0.705 0 C-N-CA 120.009 -0.677 . . . . 1.1499999999999999 111.071 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.7 t -48.36 128.03 13.87 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.339 0.866 . . . . 0.76000000000000001 113.339 -163.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.66 -27.62 60.5 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.526 -1.215 . . . . 1.22 110.994 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -82.02 -49.11 10.61 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.389 -0.369 . . . . 0.91000000000000003 111.724 -172.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.4 p -106.7 -90.4 0.43 Allowed 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.675 -0.861 . . . . 1.3799999999999999 108.675 173.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.517 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 2.2 tpt180 173.42 23.58 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.049 0.843 . . . . 2.7799999999999998 109.801 168.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.522 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 59.2 tptt -57.88 138.36 55.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.82 -0.627 . . . . 1.8 109.78 176.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.37 110.1 11.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.772 0.32 . . . . 0.54000000000000004 110.902 -178.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -92.31 148.0 22.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 0.46999999999999997 110.875 177.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.486 ' O ' HG12 ' A' ' 49' ' ' VAL . 1.4 p-10 -111.45 -175.71 2.77 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 108.192 -1.04 . . . . 2.1699999999999999 108.192 170.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -60.91 -24.12 65.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.099 0.409 . . . . 1.5800000000000001 111.712 -178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.7 m -91.95 -51.23 5.31 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.455 0.539 . . . . 1.71 112.455 -175.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.9 p -73.77 -19.38 60.79 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 113.603 0.964 . . . . 0.66000000000000003 113.603 -169.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.614 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.86 125.74 22.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.181 0.515 . . . . 0.51000000000000001 111.852 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.53 107.75 20.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.555 -0.748 . . . . 0.38 109.835 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -105.94 125.4 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.036 -0.529 . . . . 0.68000000000000005 110.371 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 26.2 t60 -137.75 133.0 33.59 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.455 -0.572 . . . . 1.49 109.455 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.407 ' HB3' ' H ' ' A' ' 54' ' ' SER . 6.4 tp10 69.04 -82.52 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.801 0.688 . . . . 2.3599999999999999 110.63 177.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.534 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.9 p -146.65 7.09 0.95 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.149 -0.478 . . . . 1.8500000000000001 110.305 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 24.2 mm-40 -114.18 156.86 23.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.047 -0.524 . . . . 2.5 111.19 -171.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.614 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -132.71 126.92 55.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.434 0 CA-C-N 115.93 -0.577 . . . . 0.58999999999999997 109.785 177.598 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -143.74 175.38 10.03 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.936 0.398 . . . . 1.1699999999999999 110.757 179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.609 ' HA ' HD11 ' A' ' 44' ' ' LEU . 16.0 p -76.57 171.56 14.44 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.702 -0.681 . . . . 0.91000000000000003 109.56 171.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -65.06 -30.72 71.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.926 0.393 . . . . 1.96 110.913 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.43 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 57.7 t -66.43 -53.23 38.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.84999999999999998 111.113 -176.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.578 ' HA ' ' HD3' ' A' ' 64' ' ' ARG . 74.1 m -67.53 -31.94 72.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.4 -0.364 . . . . 0.64000000000000001 111.332 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.451 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 35.1 t80 -58.93 -48.29 81.99 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.662 -0.495 . . . . 0.93999999999999995 109.662 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.14 -39.75 94.71 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.945 -0.645 . . . . 0.80000000000000004 112.187 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.578 ' HD3' ' HA ' ' A' ' 61' ' ' CYS . 68.7 mtp180 -55.93 -44.2 78.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 3.1099999999999999 111.346 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -82.38 -35.08 28.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.096 -0.502 . . . . 2.98 112.282 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 . . . . . 0 C--N 1.326 -0.44 0 N-CA-C 111.967 0.358 . . . . 1.71 111.967 -174.508 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.63 0 N-CA-C 112.016 -0.434 . . . . 1.6299999999999999 112.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -127.47 -168.86 1.95 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.461 -0.57 . . . . 0.79000000000000004 109.461 177.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -117.03 143.36 45.84 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.614 -0.513 . . . . 2.4199999999999999 109.614 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.567 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 45.6 t -70.2 128.89 37.81 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.279 -0.873 . . . . 0.63 109.865 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.76 -21.89 65.69 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.725 -0.75 . . . . 0.91000000000000003 112.395 173.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.21 -32.03 12.66 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.935 0.367 . . . . 0.93999999999999995 111.216 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.567 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 85.5 m -104.14 -170.62 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.4 0.619 . . . . 0.77000000000000002 111.141 178.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -105.07 0.26 27.39 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.652 -1.24 . . . . 2.73 107.652 161.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.513 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 75.0 mmtt -81.78 166.22 20.22 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.43 -1.259 . . . . 2.3900000000000001 111.319 -173.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -85.79 138.03 32.37 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.064 -0.971 . . . . 1.0900000000000001 112.547 -176.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.67 HG22 ' CD2' ' A' ' 31' ' ' HIS . 32.1 t -109.59 130.7 62.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.747 -0.66 . . . . 0.53000000000000003 109.845 174.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.56 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 41.8 m-85 -119.38 175.25 5.91 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.458 -0.337 . . . . 1.4099999999999999 110.25 177.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -53.92 -21.55 8.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.272 -0.422 . . . . 2.6899999999999999 111.528 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.83 -57.4 11.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.871 -0.604 . . . . 0.85999999999999999 111.763 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.6 31.39 6.59 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.777 -0.647 . . . . 2.8599999999999999 110.453 -174.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 19.6 tt0 -82.05 125.42 30.81 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.457 -0.792 . . . . 1.28 111.832 -176.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 32' ' ' LYS . 30.4 mt -126.87 118.59 50.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.309 -0.997 . . . . 0.82999999999999996 108.309 160.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 48.8 mt-30 -95.7 102.9 14.74 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.977 0.418 . . . . 1.79 110.098 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 46.7 t -94.5 107.09 19.08 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.794 -0.639 . . . . 0.92000000000000004 109.673 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 t30 58.03 51.66 8.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.608 -0.724 . . . . 2.0600000000000001 110.457 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.96 38.81 89.15 Favored Glycine 0 C--N 1.331 0.276 0 CA-C-N 115.454 -0.794 . . . . 0.96999999999999997 113.226 176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.489 ' HD2' ' OG ' ' A' ' 54' ' ' SER . 54.3 ttt180 -149.58 129.03 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.844 -0.428 . . . . 3.9199999999999999 109.844 177.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.0 m -83.53 126.55 32.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.71999999999999997 111.915 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.421 ' HZ ' ' HD3' ' A' ' 28' ' ' ARG . 69.7 m-85 -130.06 158.82 38.58 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.282 -0.636 . . . . 1.2 109.282 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 30.3 m80 -70.78 157.51 37.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.454 -0.572 . . . . 0.53000000000000003 109.454 172.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.618 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.6 mttm -60.21 -28.25 67.84 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.401 0.62 . . . . 2.3799999999999999 109.93 172.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -82.22 -4.73 57.65 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.288 -0.869 . . . . 1.3200000000000001 111.488 175.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 46.9 m -122.0 4.09 9.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.513 -0.312 . . . . 0.63 111.477 -176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' CD1' HG21 ' A' ' 23' ' ' ILE . 77.0 t80 -76.36 -19.56 58.07 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.451 0.643 . . . . 1.0900000000000001 110.326 177.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.653 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -85.1 165.49 17.43 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 119.762 -0.775 . . . . 1.1499999999999999 110.224 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.662 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 43.4 t -42.08 132.53 3.22 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 124.09 0.956 . . . . 0.76000000000000001 113.523 -164.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.5 mmt -74.2 -17.41 60.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 1.22 110.946 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -98.53 -74.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.284 -0.417 . . . . 0.91000000000000003 111.283 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.3 p -89.37 -10.77 45.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.98 0.419 . . . . 1.3799999999999999 110.705 -174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.662 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 26.6 mmt180 69.73 21.98 6.28 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.237 -0.892 . . . . 2.7799999999999998 112.311 177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.653 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 56.3 tttm -66.51 147.41 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.631 -0.507 . . . . 1.8 109.631 171.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -73.4 128.3 35.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.707 0.289 . . . . 0.54000000000000004 110.343 175.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.856 HD11 ' HA ' ' A' ' 58' ' ' CYS . 4.3 mm? -103.21 150.54 23.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.26 -0.427 . . . . 0.46999999999999997 110.653 179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -95.72 171.43 8.67 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.89 -0.782 . . . . 2.1699999999999999 108.89 175.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.6 m -68.82 -18.79 64.23 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.182 0.515 . . . . 1.5800000000000001 110.198 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.5 m -101.06 -25.67 13.97 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.713 -0.676 . . . . 1.71 112.137 -176.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.9 p -100.84 -5.78 25.7 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.097 0.777 . . . . 0.66000000000000003 113.097 -169.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG23 HG13 ' A' ' 56' ' ' ILE . 1.3 p -74.47 134.22 29.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.182 0.515 . . . . 0.51000000000000001 111.64 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.33 108.82 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.581 -0.736 . . . . 0.38 110.013 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.482 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -110.17 105.97 15.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.005 0.431 . . . . 0.68000000000000005 110.981 -179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.74 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 12.7 t60 -98.48 114.54 26.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.344 -0.613 . . . . 1.49 109.344 178.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 72.4 mm-40 64.14 -79.52 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.787 0.679 . . . . 2.3599999999999999 110.929 -175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.489 ' OG ' ' HD2' ' A' ' 28' ' ' ARG . 9.4 t -148.52 26.33 0.94 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.442 0.639 . . . . 1.8500000000000001 109.684 177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 34.4 mt-10 -120.95 119.95 34.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.655 -0.702 . . . . 2.5 110.699 -178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.463 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -106.93 131.66 56.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.197 -0.456 . . . . 0.58999999999999997 111.691 -175.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -147.88 175.21 11.14 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.023 -0.535 . . . . 1.1699999999999999 110.968 177.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.856 ' HA ' HD11 ' A' ' 44' ' ' LEU . 40.8 m -60.89 165.54 4.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.749 -0.66 . . . . 0.91000000000000003 109.988 167.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -74.74 -30.58 61.55 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.41 -0.589 . . . . 1.96 109.41 171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.4 t -68.01 -43.26 85.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.703 -0.68 . . . . 0.84999999999999998 109.79 174.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.562 ' H ' ' HB2' ' A' ' 58' ' ' CYS . 68.0 m -71.95 -40.35 68.74 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.724 -0.671 . . . . 0.64000000000000001 111.395 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.74 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 74.6 t80 -64.12 -42.41 96.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.852 -0.425 . . . . 0.93999999999999995 109.852 174.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -74.52 -10.66 82.66 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.608 -0.723 . . . . 0.80000000000000004 112.849 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -85.7 -47.41 9.8 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.423 -0.584 . . . . 3.1099999999999999 109.423 174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -58.77 -40.66 84.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.35 -0.841 . . . . 2.98 110.192 176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.605 -0.725 . . . . 1.71 110.372 177.279 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 N-CA-C 112.28 -0.328 . . . . 1.6299999999999999 112.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.43 -172.78 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.986 -0.376 . . . . 0.79000000000000004 109.986 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.44 ' HE2' ' HB2' ' A' ' 9' ' ' LYS . 11.5 ptmm? -125.84 153.27 44.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.521 -0.548 . . . . 2.4199999999999999 109.521 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.612 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.9 t -69.23 133.85 48.46 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.442 -0.799 . . . . 0.63 110.076 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.29 -6.73 58.55 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.91000000000000003 112.271 173.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.07 -47.03 3.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.93999999999999995 110.595 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -85.55 179.13 7.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.797 0.808 . . . . 0.77000000000000002 110.988 178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -105.19 11.64 32.86 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 107.406 -1.331 . . . . 2.73 107.406 164.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 34.4 mmtp -89.05 179.87 6.06 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 114.084 -1.417 . . . . 2.3900000000000001 110.244 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.04 143.04 27.55 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.577 -0.738 . . . . 1.0900000000000001 112.658 -174.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.636 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.0 t -114.74 136.42 51.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.553 -0.749 . . . . 0.53000000000000003 109.702 175.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 33.2 m-85 -118.16 -168.92 1.6 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.053 -0.351 . . . . 1.4099999999999999 110.053 -178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -70.73 -17.94 62.8 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.795 0.331 . . . . 2.6899999999999999 111.451 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.11 -56.5 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.301 0.572 . . . . 0.85999999999999999 111.912 -174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' HB2' ' H ' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -110.56 36.37 3.12 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.587 -0.733 . . . . 2.8599999999999999 110.91 -171.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 43.5 tt0 -88.84 116.5 27.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.843 -0.617 . . . . 1.28 111.792 -176.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' LYS . 56.5 mt -123.1 119.91 59.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 108.92 -0.77 . . . . 0.82999999999999996 108.92 166.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -107.09 116.21 31.54 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.175 0.512 . . . . 1.79 110.97 -177.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.0 t -107.75 101.15 10.47 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 0.92000000000000004 109.602 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 71.76 -69.69 0.18 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.398 -0.819 . . . . 2.0600000000000001 111.667 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -149.34 11.34 1.01 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.464 -0.874 . . . . 0.96999999999999997 113.243 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -129.11 130.28 46.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 117.21 0.505 . . . . 3.9199999999999999 110.699 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -94.56 113.71 25.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.969 -0.56 . . . . 0.71999999999999997 110.386 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -107.23 162.73 13.62 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.025 -0.361 . . . . 1.2 110.025 -179.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.636 ' CD2' HG22 ' A' ' 17' ' ' VAL . 23.2 m170 -68.08 156.14 38.07 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.467 -0.568 . . . . 0.53000000000000003 109.467 170.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 23' ' ' ILE . 61.6 tttp -55.77 -40.2 72.27 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.428 -0.582 . . . . 2.3799999999999999 109.428 173.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.1 m -69.67 -28.71 66.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.471 -0.786 . . . . 1.3200000000000001 110.856 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.635 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 66.9 m -94.61 25.57 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.84 0.352 . . . . 0.63 111.729 -174.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' CD1' HG21 ' A' ' 23' ' ' ILE . 35.5 t80 -95.86 -4.7 43.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.154 0.502 . . . . 1.0900000000000001 110.782 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.2 p-80 -90.32 173.95 7.85 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.35 -0.54 . . . . 1.1499999999999999 110.638 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' N ' HD23 ' A' ' 44' ' ' LEU . 17.8 t -56.21 130.1 42.94 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-O 121.745 0.783 . . . . 0.76000000000000001 112.734 -167.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.2 mmt -75.23 -31.42 60.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.336 -1.302 . . . . 1.22 111.155 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.415 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -77.35 -53.93 7.07 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.868 -0.606 . . . . 0.91000000000000003 111.405 -171.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.506 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.1 p -102.13 -89.34 0.37 Allowed 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 109.147 -0.686 . . . . 1.3799999999999999 109.147 176.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.6 tpt180 172.03 21.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 124.069 0.856 . . . . 2.7799999999999998 110.042 169.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 25.6 tptp -59.78 135.48 57.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.898 -0.592 . . . . 1.8 109.868 177.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -71.95 123.82 23.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.485 0.183 . . . . 0.54000000000000004 110.552 178.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.542 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -105.79 139.43 40.38 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.362 0.601 . . . . 0.46999999999999997 111.418 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.12 161.39 14.55 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.751 -1.203 . . . . 2.1699999999999999 107.751 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.4 t -65.25 -12.46 51.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.795 0.331 . . . . 1.5800000000000001 111.197 -175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.99 4.2 44.7 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.92 0.39 . . . . 1.71 110.88 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.1 p -131.67 -22.75 2.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.098 0.777 . . . . 0.66000000000000003 113.098 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.437 HG23 HG13 ' A' ' 56' ' ' ILE . 1.4 p -66.83 138.02 23.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.201 0.524 . . . . 0.51000000000000001 111.976 -175.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.517 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -105.02 107.63 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.551 -0.75 . . . . 0.38 109.803 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -102.66 155.8 18.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.317 0.58 . . . . 0.68000000000000005 111.426 -178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.75 89.7 1.93 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.227 -0.897 . . . . 1.49 109.302 175.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 60.56 -90.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 123.827 0.704 . . . . 2.3599999999999999 111.489 177.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.3 m -103.37 7.73 38.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.014 0.435 . . . . 1.8500000000000001 110.857 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 42.7 mt-10 -118.42 151.74 37.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.093 -0.503 . . . . 2.5 111.12 -174.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -151.42 126.82 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.348 -0.612 . . . . 0.58999999999999997 109.348 175.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.443 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 51.8 m-85 -143.89 173.73 11.44 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.998 0.428 . . . . 1.1699999999999999 110.355 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 13.8 p -73.71 154.39 39.67 Favored 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 107.72 -1.215 . . . . 0.91000000000000003 107.72 169.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.517 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 56.2 mtmt -69.94 -3.77 17.6 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.975 -0.29 . . . . 1.96 111.187 -178.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.644 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 60.9 t -79.08 -53.09 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 109.635 -0.506 . . . . 0.84999999999999998 109.635 173.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.707 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 78.0 m -67.49 -31.47 71.63 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-O 120.64 0.257 . . . . 0.64000000000000001 110.969 176.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' O ' ' HD2' ' A' ' 66' ' ' TYR . 30.1 t80 -58.51 -56.18 25.52 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.668 -0.493 . . . . 0.93999999999999995 109.668 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.68 -22.0 73.24 Favored Glycine 0 C--O 1.226 -0.354 0 C-N-CA 120.693 -0.765 . . . . 0.80000000000000004 111.957 176.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.707 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 20.9 ttt180 -68.78 -51.77 37.45 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 122.889 0.476 . . . . 3.1099999999999999 111.194 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -81.77 -10.91 59.22 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.717 -0.393 . . . . 2.98 110.793 -178.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.444 ' HD2' ' O ' ' A' ' 62' ' ' TYR . 61.5 m-85 . . . . . 0 C--N 1.326 -0.418 0 CA-C-O 121.026 0.441 . . . . 1.71 110.366 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 111.999 -0.44 . . . . 1.6299999999999999 111.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.64 179.73 6.15 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.692 -0.484 . . . . 0.79000000000000004 109.692 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -124.02 147.86 47.48 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 109.084 -0.71 . . . . 2.4199999999999999 109.084 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 28.9 t -71.36 133.41 45.96 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.349 -0.841 . . . . 0.63 111.036 -175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.29 0.26 33.35 Favored Glycine 0 CA--C 1.521 0.427 0 CA-C-N 115.614 -0.721 . . . . 0.91000000000000003 112.459 172.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.09 -41.48 2.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.93999999999999995 110.67 175.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.645 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 75.3 m -91.46 175.39 6.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.843 0.83 . . . . 0.77000000000000002 111.454 179.087 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -104.37 7.34 35.61 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.229 -1.397 . . . . 2.73 107.229 162.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.645 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 33.3 mmtp -85.43 169.66 13.44 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 113.875 -1.511 . . . . 2.3900000000000001 109.507 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.38 141.37 28.65 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.433 0.635 . . . . 1.0900000000000001 112.195 -176.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.727 HG22 ' CD2' ' A' ' 31' ' ' HIS . 70.3 t -101.83 129.69 52.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.067 -0.969 . . . . 0.53000000000000003 109.389 175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.489 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 14.5 m-85 -117.55 179.59 4.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.849 -0.426 . . . . 1.4099999999999999 109.849 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.4 t60 -59.56 -21.27 60.06 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.515 0.509 . . . . 2.6899999999999999 109.642 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.21 -57.05 10.85 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 115.083 -0.962 . . . . 0.85999999999999999 112.308 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -135.24 41.9 2.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.148 0.499 . . . . 2.8599999999999999 111.124 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 18' ' ' TYR . 85.3 tt0 -90.58 117.66 29.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.897 -0.592 . . . . 1.28 111.389 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.05 120.02 61.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 108.686 -0.857 . . . . 0.82999999999999996 108.686 165.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.438 ' HA ' ' O ' ' A' ' 28' ' ' ARG . 1.0 OUTLIER -91.37 101.84 14.52 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.478 -0.564 . . . . 1.79 109.478 178.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.4 t -91.79 110.15 21.49 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.623 -0.717 . . . . 0.92000000000000004 109.451 -177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.5 t30 70.22 -60.34 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 124.135 0.897 . . . . 2.0600000000000001 111.162 -178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.26 26.93 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.896 -0.669 . . . . 0.96999999999999997 112.945 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 73.8 mtt180 -141.84 145.67 34.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.877 0.338 . . . . 3.9199999999999999 110.983 176.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 14.2 m -87.39 126.85 35.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.505 -0.771 . . . . 0.71999999999999997 111.202 -176.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -132.72 151.86 51.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 1.2 110.105 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.727 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -64.74 150.29 47.62 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.55 -0.296 . . . . 0.53000000000000003 111.433 176.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 32' ' ' LYS . 1.3 tmtp? -63.89 -29.63 70.8 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.372 -0.973 . . . . 2.3799999999999999 108.372 170.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.1 m -80.03 -4.51 52.94 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.769 -1.105 . . . . 1.3200000000000001 110.492 178.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 60.5 m -132.4 18.68 4.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.271 -0.422 . . . . 0.63 111.936 -176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.418 ' O ' HD11 ' A' ' 56' ' ' ILE . 76.8 t80 -77.19 -10.91 59.71 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.223 0.535 . . . . 1.0900000000000001 110.813 -178.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.609 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 20.6 p-80 -85.96 173.97 9.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.381 -0.372 . . . . 1.1499999999999999 111.535 -177.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.444 ' N ' HD23 ' A' ' 44' ' ' LEU . 20.4 t -50.71 125.92 14.41 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.402 0.62 . . . . 0.76000000000000001 112.506 -166.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -74.24 -19.11 60.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.029 -0.987 . . . . 1.22 111.565 178.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.12 -73.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.543 -0.299 . . . . 0.91000000000000003 111.01 -176.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.613 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 28.8 p -81.02 -83.13 0.11 Allowed 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.755 -0.831 . . . . 1.3799999999999999 108.755 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.613 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 2.0 tpt180 164.18 16.32 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.485 1.115 . . . . 2.7799999999999998 110.717 168.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.609 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 26.9 tptp -52.41 137.14 30.17 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 122.603 0.361 . . . . 1.8 110.653 178.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.02 121.01 17.42 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.157 -0.312 . . . . 0.54000000000000004 110.157 176.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.0 mm? -100.02 146.54 26.62 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.948 0.404 . . . . 0.46999999999999997 110.681 179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -115.61 168.63 9.84 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.455 -0.793 . . . . 2.1699999999999999 109.32 174.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.9 m -49.96 -39.35 40.36 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.84 0.682 . . . . 1.5800000000000001 112.84 -173.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.9 m -88.77 -22.62 23.19 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.435 0.531 . . . . 1.71 112.435 -173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.3 p -97.84 -22.2 16.5 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.31 0.856 . . . . 0.66000000000000003 113.31 -169.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.515 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -64.56 132.93 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.333 0.587 . . . . 0.51000000000000001 111.871 -177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.89 18.98 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.428 -0.806 . . . . 0.38 109.801 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -107.05 142.35 36.83 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.11 -0.495 . . . . 0.68000000000000005 110.749 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.52 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 25.9 t60 -147.9 114.42 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.531 -0.544 . . . . 1.49 109.531 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 12.7 mm-40 62.33 -93.04 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.255 0.622 . . . . 2.3599999999999999 111.674 -179.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 m -125.58 16.0 8.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.073 0.463 . . . . 1.8500000000000001 110.386 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.2 mt-10 -121.92 150.75 41.55 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.774 -0.648 . . . . 2.5 110.617 -177.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -144.78 126.88 9.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.093 -0.503 . . . . 0.58999999999999997 109.701 179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.73 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 68.0 m-85 -146.02 174.52 11.21 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.331 0.586 . . . . 1.1699999999999999 111.815 -175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.719 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.9 p -74.55 162.56 28.67 Favored 'General case' 0 N--CA 1.442 -0.852 0 CA-C-N 115.025 -0.989 . . . . 0.91000000000000003 108.812 171.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.46 -12.31 61.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.464 -0.334 . . . . 1.96 111.385 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 44.5 t -79.16 -53.94 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.666 0.269 . . . . 0.84999999999999998 110.317 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 80.7 m -67.78 -34.18 76.28 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 120.72 0.295 . . . . 0.64000000000000001 110.753 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -63.09 -47.51 82.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.147 -0.479 . . . . 0.93999999999999995 110.302 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -22.55 73.75 Favored Glycine 0 C--N 1.332 0.348 0 CA-C-N 116.004 -0.543 . . . . 0.80000000000000004 112.826 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 84.9 mtp180 -75.7 -50.34 15.65 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.736 -0.273 . . . . 3.1099999999999999 110.909 177.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -74.02 -41.5 61.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.829 0.347 . . . . 2.98 111.015 -176.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 C--N 1.325 -0.46 0 CA-C-O 121.006 0.431 . . . . 1.71 111.039 -178.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.917 0 N-CA-C 111.581 -0.608 . . . . 1.6299999999999999 111.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -135.16 -161.67 1.18 Allowed 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.732 -0.47 . . . . 0.79000000000000004 109.732 -178.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 ptpp? -125.69 143.29 51.1 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.52 -0.919 . . . . 2.4199999999999999 108.52 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.625 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 23.1 t -61.49 139.5 58.22 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 114.88 -1.055 . . . . 0.63 111.811 -173.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.47 ' HA3' ' HE1' ' A' ' 30' ' ' PHE . . . -73.04 -4.44 62.9 Favored Glycine 0 C--N 1.318 -0.469 0 CA-C-N 115.08 -0.964 . . . . 0.91000000000000003 112.369 170.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.569 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -118.02 -24.6 6.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.826 0.346 . . . . 0.93999999999999995 111.115 178.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.667 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 85.0 m -112.8 169.09 9.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.158 0.504 . . . . 0.77000000000000002 110.709 178.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -94.8 3.72 54.68 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.594 -1.262 . . . . 2.73 107.594 160.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 86.6 mttt -79.74 159.22 26.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 114.069 -1.423 . . . . 2.3900000000000001 109.717 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.4 141.41 31.75 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.75 0.648 . . . . 1.0900000000000001 112.75 -175.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.781 HG22 ' CD2' ' A' ' 31' ' ' HIS . 43.8 t -104.98 120.79 56.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.625 -0.716 . . . . 0.53000000000000003 109.725 174.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -112.75 170.66 8.03 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.432 -0.581 . . . . 1.4099999999999999 109.432 178.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.43 -14.13 7.03 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.904 0.383 . . . . 2.6899999999999999 111.045 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.35 67.91 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.687 -0.688 . . . . 0.85999999999999999 111.205 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 14.2 pt-20 -137.51 43.21 2.31 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.211 0.529 . . . . 2.8599999999999999 110.864 -178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.451 ' HG3' ' HB3' ' A' ' 29' ' ' SER . 37.5 tt0 -91.91 118.31 30.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.216 -0.447 . . . . 1.28 111.26 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.2 mt -111.61 121.86 64.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.132 -0.692 . . . . 0.82999999999999996 109.132 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.3 mp0 -83.27 102.24 11.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.361 -0.607 . . . . 1.79 109.361 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.7 t -104.11 107.19 17.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.533 -0.303 . . . . 0.92000000000000004 110.45 -177.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.4 t30 72.11 -46.6 0.65 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.025 0.93 . . . . 2.0600000000000001 112.117 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.22 25.69 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.772 . . . . 0.96999999999999997 112.888 177.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -150.11 147.12 27.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.787 0.327 . . . . 3.9199999999999999 110.634 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.451 ' HB3' ' HG3' ' A' ' 22' ' ' GLU . 28.4 m -78.67 126.75 31.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.604 -0.725 . . . . 0.71999999999999997 111.084 179.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' HE1' ' HA3' ' A' ' 11' ' ' GLY . 84.5 m-85 -130.38 154.86 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.064 -0.516 . . . . 1.2 110.356 176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.781 ' CD2' HG22 ' A' ' 17' ' ' VAL . 21.6 m170 -66.0 149.35 50.37 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.254 -0.43 . . . . 0.53000000000000003 111.506 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.472 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 87.1 tttt -65.24 -30.51 71.4 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.503 -0.925 . . . . 2.3799999999999999 108.503 167.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 m -78.07 -5.91 52.95 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 114.924 -1.034 . . . . 1.3200000000000001 110.594 176.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 31' ' ' HIS . 73.1 m -132.31 15.46 4.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.41 -0.359 . . . . 0.63 111.614 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.433 ' O ' HD11 ' A' ' 56' ' ' ILE . 62.7 t80 -78.84 -16.78 56.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.563 0.697 . . . . 1.0900000000000001 109.936 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.673 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 9.8 p-80 -85.22 167.35 15.76 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.565 -0.743 . . . . 1.1499999999999999 109.418 174.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' N ' HD23 ' A' ' 44' ' ' LEU . 32.5 t -44.49 132.8 6.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 113.524 0.935 . . . . 0.76000000000000001 113.524 -162.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.569 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 25.5 mmt -73.42 -19.24 61.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.98 -1.009 . . . . 1.22 110.671 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -97.45 -53.26 3.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.91000000000000003 111.949 -174.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.7 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 21.4 p -115.01 0.53 13.7 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.47 -0.492 . . . . 1.3799999999999999 111.347 -175.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 36.2 mmt180 62.27 21.6 12.6 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.568 -0.742 . . . . 2.7799999999999998 111.395 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.7 ' HB2' ' SG ' ' A' ' 40' ' ' CYS . 49.8 tptt -52.8 134.23 36.86 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-N 115.611 -0.722 . . . . 1.8 109.924 172.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.83 106.72 1.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.871 0.367 . . . . 0.54000000000000004 110.935 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.756 HD11 ' HA ' ' A' ' 58' ' ' CYS . 2.2 mm? -93.18 137.73 32.25 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.829 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -107.35 174.63 5.8 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.855 -1.165 . . . . 2.1699999999999999 107.855 173.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 m -57.57 -35.56 70.54 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.993 0.425 . . . . 1.5800000000000001 111.367 -177.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.9 p -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.07 0.767 . . . . 1.71 113.07 -174.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.0 p -102.68 -25.99 13.35 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.418 0.895 . . . . 0.66000000000000003 113.418 -169.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.541 HG23 HG13 ' A' ' 56' ' ' ILE . 1.6 p -64.15 127.58 25.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 CA-C-O 121.431 0.634 . . . . 0.51000000000000001 112.19 -173.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.36 108.51 20.55 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.977 -1.011 . . . . 0.38 109.909 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -105.89 144.73 32.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.012 -0.54 . . . . 0.68000000000000005 110.714 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.8 t60 -139.75 92.23 2.54 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.624 -0.716 . . . . 1.49 109.951 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 65.34 -69.46 0.1 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.667 0.787 . . . . 2.3599999999999999 112.84 176.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 m -132.68 8.04 4.15 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.927 -0.483 . . . . 1.8500000000000001 111.195 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.624 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 45.5 mt-10 -119.03 152.17 36.91 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.34 -0.391 . . . . 2.5 110.57 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.541 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -145.23 126.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.273 -0.64 . . . . 0.58999999999999997 109.273 176.766 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.624 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 72.2 m-85 -144.48 174.84 10.59 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.995 0.426 . . . . 1.1699999999999999 110.928 -178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.756 ' HA ' HD11 ' A' ' 44' ' ' LEU . 18.4 p -74.48 178.9 4.96 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.91000000000000003 109.778 174.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.46 -15.04 59.07 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.764 -0.374 . . . . 1.96 110.587 177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.521 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 50.5 t -79.58 -53.03 13.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.84999999999999998 110.615 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.674 ' HA ' ' HE ' ' A' ' 64' ' ' ARG . 86.5 m -69.57 -38.6 77.46 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.79 0.329 . . . . 0.64000000000000001 110.84 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -66.82 -30.24 70.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.105 -0.702 . . . . 0.93999999999999995 109.105 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.58 -24.2 59.0 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.413 -0.812 . . . . 0.80000000000000004 113.368 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.674 ' HE ' ' HA ' ' A' ' 61' ' ' CYS . 22.1 ptt180 -89.83 -40.78 12.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 117.616 0.708 . . . . 3.1099999999999999 111.311 177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -63.81 -39.9 95.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 2.98 110.425 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.157 -0.474 . . . . 1.71 110.141 175.725 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.695 0 N-CA-C 112.292 -0.323 . . . . 1.6299999999999999 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -141.73 -167.41 2.43 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.513 -0.551 . . . . 0.79000000000000004 109.513 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -115.69 138.84 50.71 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.302 -0.629 . . . . 2.4199999999999999 109.302 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 8.2 t -58.62 129.6 42.85 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.445 -0.798 . . . . 0.63 110.548 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.75 -8.14 71.7 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.407 -0.901 . . . . 0.91000000000000003 111.636 172.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 34' ' ' CYS . . . -102.66 -59.57 1.68 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.508 0.194 . . . . 0.93999999999999995 110.863 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.629 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 14.4 p -108.19 177.18 4.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.141 -0.689 . . . . 0.77000000000000002 109.141 177.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -97.73 24.0 7.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.715 -0.394 . . . . 2.73 111.003 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -99.34 163.39 12.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.157 -0.474 . . . . 2.3900000000000001 110.292 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -78.9 139.48 38.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.027 -0.533 . . . . 1.0900000000000001 112.258 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.687 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.3 t -111.72 127.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.628 -0.715 . . . . 0.53000000000000003 110.949 178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -117.9 178.21 4.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.797 -0.816 . . . . 1.4099999999999999 108.797 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -55.74 -28.88 58.19 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 111.938 0.347 . . . . 2.6899999999999999 111.938 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.33 -58.53 6.78 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.8 0.667 . . . . 0.85999999999999999 112.8 -176.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.606 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 33.2 tp10 -108.62 21.95 16.58 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.527 0.679 . . . . 2.8599999999999999 109.682 -172.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -82.39 136.64 34.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 1.28 112.289 -173.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.445 ' CG2' ' HB2' ' A' ' 30' ' ' PHE . 13.7 tt -134.18 127.65 51.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.16 -1.052 . . . . 0.82999999999999996 108.16 167.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -103.2 114.36 28.59 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.358 0.599 . . . . 1.79 111.585 -174.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -118.53 121.33 39.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.193 -0.912 . . . . 0.92000000000000004 109.562 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 71.54 -69.23 0.19 Allowed 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.778 0.673 . . . . 2.0600000000000001 111.727 178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.82 19.67 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.823 -0.703 . . . . 0.96999999999999997 112.04 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -128.73 142.95 50.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.585 0.231 . . . . 3.9199999999999999 110.718 -177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.2 m -90.57 115.09 27.43 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.185 0.517 . . . . 0.71999999999999997 110.034 175.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.445 ' HB2' ' CG2' ' A' ' 23' ' ' ILE . 72.7 m-85 -107.32 171.78 7.19 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.151 -0.685 . . . . 1.2 109.151 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.687 ' CD2' HG22 ' A' ' 17' ' ' VAL . 30.3 m170 -84.86 140.97 30.77 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.606 -0.887 . . . . 0.53000000000000003 108.606 165.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -60.26 -36.22 77.29 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.424 0.63 . . . . 2.3799999999999999 109.919 176.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.9 m -66.71 -29.0 68.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.332 -0.849 . . . . 1.3200000000000001 110.903 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB3' ' CB ' ' A' ' 12' ' ' ALA . 96.5 m -90.27 -0.79 57.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.418 . . . . 0.63 111.077 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.521 ' HZ ' HG11 ' A' ' 49' ' ' VAL . 39.2 t80 -80.98 61.11 4.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 122.006 0.908 . . . . 1.0900000000000001 110.196 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -125.12 177.55 6.03 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.147 -1.057 . . . . 1.1499999999999999 108.147 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 44' ' ' LEU . 49.6 t -54.1 121.89 9.05 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.278 1.037 . . . . 0.76000000000000001 111.321 -177.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.597 ' HB3' ' O ' ' A' ' 56' ' ' ILE . 29.9 tpp -73.74 1.13 11.04 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 113.005 -1.907 . . . . 1.22 110.757 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -116.6 -59.78 1.93 Allowed 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 116.198 -0.456 . . . . 0.91000000000000003 111.622 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -101.15 -90.13 0.34 Allowed 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 120.103 -0.639 . . . . 1.3799999999999999 110.562 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 0.1 OUTLIER -174.95 8.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 123.339 0.399 . . . . 2.7799999999999998 111.549 176.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -52.83 140.21 24.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 1.8 110.511 178.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.29 109.19 13.4 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.652 -0.499 . . . . 0.54000000000000004 109.652 176.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.687 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -93.39 137.96 32.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.485 178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' OD1' HG22 ' A' ' 47' ' ' THR . 3.5 p30 -115.68 -167.84 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.991 -0.549 . . . . 2.1699999999999999 109.738 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 m -55.24 -38.41 68.47 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.06 0.763 . . . . 1.5800000000000001 113.06 -174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.2 t -101.37 -23.39 14.37 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.557 0.577 . . . . 1.71 112.557 -172.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.7 p -88.2 -25.28 22.98 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 113.546 0.943 . . . . 0.66000000000000003 113.546 -169.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG11 ' HZ ' ' A' ' 35' ' ' PHE . 1.4 p -63.86 132.39 29.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 121.264 0.554 . . . . 0.51000000000000001 111.489 -177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.71 108.4 19.67 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.425 -0.807 . . . . 0.38 110.56 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.21 114.61 28.46 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.813 -0.63 . . . . 0.68000000000000005 111.286 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -96.44 91.49 5.84 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 107.77 -1.196 . . . . 1.49 107.77 168.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 59.42 -104.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.278 -0.874 . . . . 2.3599999999999999 110.737 -177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 m -97.25 9.84 41.13 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.98 0.363 . . . . 1.8500000000000001 111.98 -175.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.615 ' HB3' ' HE2' ' A' ' 57' ' ' TYR . 41.9 mt-10 -121.81 114.11 20.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.967 0.413 . . . . 2.5 111.969 -178.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.597 ' O ' ' HB3' ' A' ' 38' ' ' MET . 0.0 OUTLIER -104.34 136.23 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.884 -0.598 . . . . 0.58999999999999997 110.338 177.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.615 ' HE2' ' HB3' ' A' ' 55' ' ' GLU . 78.6 m-85 -150.89 173.95 13.67 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 110.156 -0.312 . . . . 1.1699999999999999 110.156 175.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.687 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.5 p -78.32 162.53 26.42 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 108.985 -0.746 . . . . 0.91000000000000003 108.985 172.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -70.01 -11.52 60.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 1.96 110.946 -177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.582 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 53.3 t -78.8 -48.4 21.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 109.665 -0.494 . . . . 0.84999999999999998 109.665 176.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.646 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 84.6 m -72.68 -31.42 65.02 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.598 -0.274 . . . . 0.64000000000000001 111.08 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.96 -46.23 90.18 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.734 -0.469 . . . . 0.93999999999999995 109.734 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -78.98 -8.11 88.04 Favored Glycine 0 C--O 1.227 -0.289 0 C-N-CA 120.899 -0.667 . . . . 0.80000000000000004 112.121 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.646 ' HB3' ' HA ' ' A' ' 61' ' ' CYS . 29.2 ttt180 -81.68 -41.36 21.46 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.5 -0.556 . . . . 3.1099999999999999 109.5 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -81.77 -56.51 3.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.684 -0.689 . . . . 2.98 111.08 176.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.258 -0.428 . . . . 1.71 111.26 -174.308 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.461 0 N-CA-C 110.694 -0.962 . . . . 1.6299999999999999 110.694 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -103.86 166.33 10.48 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.052 -0.722 . . . . 0.79000000000000004 109.052 173.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.444 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -131.22 142.63 50.2 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.436 -0.579 . . . . 2.4199999999999999 109.436 178.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.539 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 44.3 t -66.23 131.86 47.11 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.637 -0.71 . . . . 0.63 110.494 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.4 -14.58 69.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 121.095 -0.574 . . . . 0.91000000000000003 112.055 174.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -100.14 -42.63 6.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.649 0.261 . . . . 0.93999999999999995 110.471 178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.609 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 64.4 m -94.89 -177.16 4.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.759 0.79 . . . . 0.77000000000000002 110.981 179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -104.42 2.77 31.5 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.72 -1.215 . . . . 2.73 107.72 161.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 45.9 mttp -75.63 152.89 37.54 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.055 -1.43 . . . . 2.3900000000000001 109.871 -179.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.68 145.84 44.94 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.506 -0.77 . . . . 1.0900000000000001 111.709 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.4 t -112.55 131.62 63.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.719 -0.673 . . . . 0.53000000000000003 110.302 175.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -118.25 170.49 8.84 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.122 -1.066 . . . . 1.4099999999999999 108.122 177.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -66.18 -15.14 62.9 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 118.254 0.479 . . . . 2.6899999999999999 110.892 -176.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.37 96.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.457 -0.792 . . . . 0.85999999999999999 111.516 176.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.63 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 48.5 tp10 -128.7 39.21 3.84 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.442 -0.799 . . . . 2.8599999999999999 109.549 -167.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -110.34 127.41 55.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.505 0.557 . . . . 1.28 112.505 -173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.676 HG21 ' CD1' ' A' ' 35' ' ' PHE . 21.4 mt -127.4 131.23 70.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.315 -0.857 . . . . 0.82999999999999996 108.743 166.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -116.6 103.56 10.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.045 0.45 . . . . 1.79 110.604 -178.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -96.32 121.23 37.89 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.764 -0.653 . . . . 0.92000000000000004 109.378 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 44.5 t30 69.13 -68.61 0.18 Allowed 'General case' 0 N--CA 1.469 0.521 0 O-C-N 124.083 0.865 . . . . 2.0600000000000001 111.186 -177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -169.08 25.07 0.11 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.789 -0.72 . . . . 0.96999999999999997 112.135 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -131.59 136.26 47.64 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.608 -0.515 . . . . 3.9199999999999999 109.608 -177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 m -92.21 133.93 35.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.948 0.404 . . . . 0.71999999999999997 111.443 -175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -132.92 171.01 14.51 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.854 -0.795 . . . . 1.2 108.854 174.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.653 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 26.3 m170 -74.1 155.73 38.16 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.746 -0.835 . . . . 0.53000000000000003 108.746 170.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.674 ' HA ' HD12 ' A' ' 23' ' ' ILE . 64.7 tttp -65.1 -29.73 70.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.38 0.61 . . . . 2.3799999999999999 109.395 175.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 m -79.59 -8.34 59.12 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.294 -0.866 . . . . 1.3200000000000001 110.548 175.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 64.5 m -113.38 23.46 13.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.131 -0.486 . . . . 0.63 110.28 179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.676 ' CD1' HG21 ' A' ' 23' ' ' ILE . 59.6 t80 -90.99 -17.42 26.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.959 -0.564 . . . . 1.0900000000000001 110.829 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.637 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 27.4 p-80 -86.61 166.25 15.54 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.104 -0.638 . . . . 1.1499999999999999 110.308 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.441 ' N ' HD23 ' A' ' 44' ' ' LEU . 15.6 t -45.11 131.09 7.73 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 113.593 0.96 . . . . 0.76000000000000001 113.593 -162.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.54 -9.11 58.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.709 -1.132 . . . . 1.22 111.255 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.409 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -108.67 -64.73 1.2 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.511 -0.313 . . . . 0.91000000000000003 111.812 -177.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 26.6 p -98.26 -9.51 25.42 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.865 -0.334 . . . . 1.3799999999999999 111.146 -175.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 17.7 mmt180 69.41 22.43 6.5 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.754 -0.657 . . . . 2.7799999999999998 112.105 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.637 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 63.6 tttp -61.09 142.61 56.55 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.418 -0.586 . . . . 1.8 109.418 170.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.55 113.56 13.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.012 0.434 . . . . 0.54000000000000004 111.418 -177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.1 mm? -95.98 139.71 31.78 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.044 -0.526 . . . . 0.46999999999999997 111.326 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.547 ' O ' HG12 ' A' ' 49' ' ' VAL . 2.3 p-10 -116.58 178.98 4.14 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.141 -1.059 . . . . 2.1699999999999999 108.141 168.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.3 p -57.25 -32.54 66.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.026 0.441 . . . . 1.5800000000000001 112.045 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.8 -29.28 40.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.359 -0.382 . . . . 1.71 112.006 -175.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -100.74 -25.78 14.01 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 113.352 0.871 . . . . 0.66000000000000003 113.352 -169.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG12 ' O ' ' A' ' 45' ' ' ASP . 1.5 p -63.59 129.88 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 121.465 0.65 . . . . 0.51000000000000001 112.262 -174.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -104.12 107.83 18.92 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 114.973 -1.012 . . . . 0.38 108.987 172.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.27 147.82 27.05 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.229 -0.442 . . . . 0.68000000000000005 110.77 -177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -138.39 90.24 2.45 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.786 -0.643 . . . . 1.49 109.278 174.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 55.77 -89.6 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.247 0.967 . . . . 2.3599999999999999 112.57 177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.4 p -85.39 -15.55 42.75 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.236 0.458 . . . . 1.8500000000000001 112.236 -169.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.99 166.21 25.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.585 0.587 . . . . 2.5 112.585 -172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -138.95 138.29 41.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-N 114.877 -1.056 . . . . 0.58999999999999997 109.65 -177.196 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -144.09 175.84 9.75 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.098 0.475 . . . . 1.1699999999999999 110.671 178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.768 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.1 p -73.73 -176.34 2.37 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.86 -0.793 . . . . 0.91000000000000003 108.86 169.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -87.77 -11.58 47.65 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.56 -0.456 . . . . 1.96 110.972 -179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 45.5 t -79.42 -52.97 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.38 . . . . 0.84999999999999998 110.205 -179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 63.9 m -69.06 -32.1 71.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.172 -0.467 . . . . 0.64000000000000001 110.682 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -59.21 -46.5 88.29 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.715 -0.476 . . . . 0.93999999999999995 109.715 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.21 -23.52 71.55 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.762 -0.654 . . . . 0.80000000000000004 112.802 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 80.3 mtp180 -73.11 -46.62 50.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.107 0.454 . . . . 3.1099999999999999 110.898 177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -65.52 -46.65 78.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.88 -0.6 . . . . 2.98 111.458 -176.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.265 -0.425 . . . . 1.71 111.786 -173.129 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 112.025 -0.43 . . . . 1.6299999999999999 112.025 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -96.25 -177.81 4.1 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.201 -0.296 . . . . 0.79000000000000004 110.201 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 9' ' ' LYS . 20.6 ptmt -121.44 131.11 53.98 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.229 -0.656 . . . . 2.4199999999999999 109.229 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.634 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 35.6 t -59.31 135.54 57.68 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.361 -0.836 . . . . 0.63 110.813 -178.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.441 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -63.79 -23.54 67.4 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.91000000000000003 112.353 171.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.12 -54.84 2.95 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.916 0.389 . . . . 0.93999999999999995 110.456 178.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 60.3 m -76.57 175.97 8.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 0.77000000000000002 109.865 177.282 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -109.14 11.19 25.72 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.254 -1.387 . . . . 2.73 107.254 160.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' ' HB3' ' A' ' 13' ' ' CYS . 51.8 mtpt -82.14 164.77 21.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 113.092 -1.867 . . . . 2.3900000000000001 109.198 177.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.22 135.83 35.78 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-O 121.255 0.55 . . . . 1.0900000000000001 112.184 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.3 t -94.08 128.86 45.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.455 -0.793 . . . . 0.53000000000000003 109.447 173.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -113.96 161.93 17.04 Favored 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 108.857 -0.794 . . . . 1.4099999999999999 108.857 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -62.02 -11.31 13.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.762 0.315 . . . . 2.6899999999999999 110.497 176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.44 -48.18 62.83 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 115.438 -0.801 . . . . 0.85999999999999999 111.19 171.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.5 pt-20 -141.32 41.55 1.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.115 0.483 . . . . 2.8599999999999999 111.052 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -83.98 121.76 27.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.967 -0.561 . . . . 1.28 111.128 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 32' ' ' LYS . 95.8 mt -114.3 119.76 62.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.2 -0.667 . . . . 0.82999999999999996 109.2 170.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -99.69 104.75 16.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.027 -0.533 . . . . 1.79 110.548 -177.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.623 ' HG ' ' HE1' ' A' ' 35' ' ' PHE . 95.3 m -118.01 125.65 50.78 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.273 -0.421 . . . . 0.92000000000000004 110.715 178.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 67.0 t30 70.93 -25.25 0.17 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.33 -0.85 . . . . 2.0600000000000001 111.886 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 25' ' ' CYS . . . 142.65 -5.63 2.06 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 121.199 -0.524 . . . . 0.96999999999999997 111.934 -176.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.481 ' HG3' ' HA ' ' A' ' 54' ' ' SER . 5.9 mmp_? -105.21 143.24 33.65 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.249 -0.278 . . . . 3.9199999999999999 110.249 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -94.9 126.06 39.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.477 -0.329 . . . . 0.71999999999999997 110.787 176.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 89.3 m-85 -125.03 157.81 35.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.156 -0.475 . . . . 1.2 109.899 177.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.731 ' CD2' HG22 ' A' ' 17' ' ' VAL . 26.2 m170 -71.25 144.32 50.09 Favored 'General case' 0 CA--C 1.515 -0.385 0 N-CA-C 110.072 -0.344 . . . . 0.53000000000000003 110.072 173.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.721 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.1 OUTLIER -58.39 -30.47 66.85 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.013 -0.539 . . . . 2.3799999999999999 109.687 171.13 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.7 m -84.2 -4.4 58.79 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.607 -0.724 . . . . 1.3200000000000001 110.979 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 55.6 m -126.76 15.83 7.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.912 0.387 . . . . 0.63 110.743 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.623 ' HE1' ' HG ' ' A' ' 25' ' ' CYS . 58.1 t80 -83.14 -4.18 58.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.594 0.711 . . . . 1.0900000000000001 111.515 -174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.58 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 7.0 p-80 -97.14 167.03 11.29 Favored 'General case' 0 C--N 1.311 -1.087 0 O-C-N 121.693 -0.63 . . . . 1.1499999999999999 111.433 -177.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' N ' HD23 ' A' ' 44' ' ' LEU . 19.4 t -48.25 128.08 13.71 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.966 0.791 . . . . 0.76000000000000001 112.914 -164.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.9 mmt -74.27 -20.12 60.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.934 -1.03 . . . . 1.22 111.385 179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.58 -56.84 3.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.482 -0.326 . . . . 0.91000000000000003 111.523 -175.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 27.6 p -96.94 -88.87 0.28 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.576 -0.898 . . . . 1.3799999999999999 108.576 175.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 1.0 OUTLIER 170.46 24.87 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.104 0.878 . . . . 2.7799999999999998 109.811 168.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 0.0 OUTLIER -48.04 131.41 15.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 115.503 -0.771 . . . . 1.8 110.498 177.424 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.418 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.83 88.06 1.78 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.861 0.362 . . . . 0.54000000000000004 110.3 177.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 58' ' ' CYS . 3.2 mm? -75.31 150.27 38.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.133 0.492 . . . . 0.46999999999999997 111.73 -178.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -116.47 -167.1 1.23 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.199 -0.91 . . . . 2.1699999999999999 109.079 171.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 t -64.93 -33.8 76.89 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.882 0.697 . . . . 1.5800000000000001 112.882 -172.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.5 p -101.63 -23.81 14.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.495 0.924 . . . . 1.71 113.495 -172.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 12.4 p -84.03 -15.08 48.91 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.606 0.595 . . . . 0.66000000000000003 112.606 -174.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG21 HD12 ' A' ' 56' ' ' ILE . 1.5 p -74.34 138.52 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.208 0.528 . . . . 0.51000000000000001 112.08 -177.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.17 111.91 23.14 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.682 -0.69 . . . . 0.38 109.497 172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' HA ' ' HA ' ' A' ' 56' ' ' ILE . . . -113.59 119.66 38.24 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.435 0.531 . . . . 0.68000000000000005 112.435 -173.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.496 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 24.9 t-80 -96.97 97.41 9.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.64 -0.709 . . . . 1.49 109.415 171.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 64.39 -83.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.514 0.508 . . . . 2.3599999999999999 110.814 179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.481 ' HA ' ' HG3' ' A' ' 28' ' ' ARG . 19.4 p -122.41 5.35 9.63 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 1.8500000000000001 110.537 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -111.45 95.89 5.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.973 -0.558 . . . . 2.5 111.145 -172.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -95.85 132.58 39.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.031 0.443 . . . . 0.58999999999999997 110.399 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 55.7 m-85 -139.34 174.36 10.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.851 -0.613 . . . . 1.1699999999999999 110.054 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.469 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.5 p -80.13 161.89 25.05 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 108.312 -0.995 . . . . 0.91000000000000003 108.312 169.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.0 -17.25 64.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.036 -0.529 . . . . 1.96 112.019 -172.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.0 t -79.12 -53.34 13.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.638 -0.256 . . . . 0.84999999999999998 110.661 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 63.1 m -69.31 -40.77 77.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.763 0.316 . . . . 0.64000000000000001 110.902 -178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.566 ' HB2' ' HB2' ' A' ' 57' ' ' TYR . 65.5 t80 -66.29 -40.8 90.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.93999999999999995 110.061 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.78 -19.79 71.7 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.80000000000000004 112.18 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp85 -79.53 -50.67 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.612 0.244 . . . . 3.1099999999999999 111.215 175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -60.4 -46.5 89.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 2.98 111.966 -173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 C--N 1.326 -0.415 0 N-CA-C 111.993 0.368 . . . . 1.71 111.993 -176.137 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 112.005 -0.438 . . . . 1.6299999999999999 112.005 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -132.03 -167.0 1.81 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.548 -0.538 . . . . 0.79000000000000004 109.548 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -128.68 140.46 51.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.937 -0.764 . . . . 2.4199999999999999 108.937 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.593 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 15.1 t -58.47 140.07 54.54 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.077 -0.965 . . . . 0.63 111.643 -174.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.4 -14.7 81.72 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 114.871 -1.059 . . . . 0.91000000000000003 112.115 169.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.66 -37.61 7.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.962 0.411 . . . . 0.93999999999999995 110.594 178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.692 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 59.8 m -98.4 -174.69 2.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.557 -0.747 . . . . 0.77000000000000002 109.477 174.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -114.31 16.63 17.86 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 107.906 -1.146 . . . . 2.73 107.906 156.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.692 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 32.0 mmtp -80.91 169.53 17.43 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.207 -1.36 . . . . 2.3900000000000001 108.837 175.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.95 139.82 35.61 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 112.811 0.671 . . . . 1.0900000000000001 112.811 -177.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.667 HG22 ' CD2' ' A' ' 31' ' ' HIS . 13.2 t -111.17 131.17 63.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.114 -0.948 . . . . 0.53000000000000003 109.936 175.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -122.68 160.99 24.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.138 -1.06 . . . . 1.4099999999999999 108.138 176.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.534 ' HA ' ' HB3' ' A' ' 22' ' ' GLU . 11.3 p-80 -59.6 -10.44 3.53 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.33 0.393 . . . . 2.6899999999999999 111.319 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.58 -48.57 63.12 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.221 -0.445 . . . . 0.85999999999999999 110.648 169.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 32' ' ' LYS . 13.2 pt-20 -140.23 44.53 1.88 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.652 0.739 . . . . 2.8599999999999999 110.448 178.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.534 ' HB3' ' HA ' ' A' ' 19' ' ' HIS . 37.6 tt0 -94.55 121.29 35.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.468 -0.787 . . . . 1.28 111.141 -178.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 72.6 mt -119.28 120.29 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.928 -0.578 . . . . 0.82999999999999996 109.991 171.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 32.9 mm-40 -83.92 102.86 12.72 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.51 . . . . 1.79 110.036 175.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 44.0 t -104.46 106.87 17.53 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.487 -0.56 . . . . 0.92000000000000004 109.487 177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.8 t30 72.33 -55.06 0.68 Allowed 'General case' 0 N--CA 1.468 0.44 0 O-C-N 123.951 0.782 . . . . 2.0600000000000001 111.476 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -176.64 20.13 0.04 OUTLIER Glycine 0 CA--C 1.52 0.404 0 C-N-CA 120.763 -0.732 . . . . 0.96999999999999997 113.072 177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.514 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 80.3 mtp180 -129.05 152.68 48.4 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 117.091 0.446 . . . . 3.9199999999999999 110.381 -178.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 42.0 m -93.83 105.36 17.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.055 0.455 . . . . 0.71999999999999997 110.882 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 28' ' ' ARG . 96.3 m-85 -107.48 148.92 28.57 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.287 -0.415 . . . . 1.2 110.332 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.667 ' CD2' HG22 ' A' ' 17' ' ' VAL . 19.5 m170 -67.95 151.73 46.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.274 -0.421 . . . . 0.53000000000000003 110.311 172.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 13.8 tmtt? -61.09 -34.92 75.69 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.64 -0.874 . . . . 2.3799999999999999 108.64 169.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 m -68.63 -22.97 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.085 -0.961 . . . . 1.3200000000000001 110.654 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 76.1 m -107.99 11.25 27.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.928 -0.578 . . . . 0.63 111.811 -174.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -87.09 73.36 9.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.492 0.663 . . . . 1.0900000000000001 110.128 179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.579 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 13.4 p-80 -163.14 176.68 9.79 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.362 -0.835 . . . . 1.1499999999999999 109.367 176.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.546 ' O ' ' HA ' ' A' ' 41' ' ' ARG . 16.8 t -57.85 127.74 33.58 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.015 0.436 . . . . 0.76000000000000001 110.917 -171.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.4 mmt -73.51 -10.77 60.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.346 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.27 -74.67 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.505 -0.316 . . . . 0.91000000000000003 111.519 -177.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 25.8 p -85.87 -11.42 53.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 1.3799999999999999 110.804 -175.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 27.6 mmt180 72.67 17.71 4.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.093 -0.958 . . . . 2.7799999999999998 111.7 179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.579 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 24.6 tptm -55.39 132.96 49.45 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.626 -0.509 . . . . 1.8 109.626 172.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.39 122.49 19.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.776 0.322 . . . . 0.54000000000000004 110.531 177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.771 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.8 mm? -97.53 156.33 16.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 111.582 -176.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' O ' HG12 ' A' ' 49' ' ' VAL . 8.2 m-20 -109.78 173.04 6.51 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.541 -0.911 . . . . 2.1699999999999999 108.541 172.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.1 m -57.84 -32.82 68.0 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.823 0.344 . . . . 1.5800000000000001 111.66 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.1 p -92.93 -28.13 16.64 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.08 0.77 . . . . 1.71 113.08 -174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.9 p -88.26 -20.39 25.53 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.763 0.653 . . . . 0.66000000000000003 112.763 -170.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG23 HG13 ' A' ' 56' ' ' ILE . 1.5 p -66.53 128.11 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.51000000000000001 111.186 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.23 107.73 18.81 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.675 -0.693 . . . . 0.38 109.79 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -106.97 105.77 15.97 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.191 -0.459 . . . . 0.68000000000000005 110.422 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.68 ' CD2' ' HG2' ' A' ' 53' ' ' GLU . 61.2 t60 -107.0 125.87 51.58 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.611 -0.515 . . . . 1.49 109.611 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.68 ' HG2' ' CD2' ' A' ' 52' ' ' HIS . 6.5 mm-40 67.31 -71.92 0.1 Allowed 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.173 0.92 . . . . 2.3599999999999999 111.183 -178.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 62.9 p -152.38 -1.95 0.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 111.864 0.32 . . . . 1.8500000000000001 111.864 -179.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 41.5 mm-40 -111.04 139.87 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.686 0.279 . . . . 2.5 110.906 -173.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.615 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.05 128.44 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.893 -0.594 . . . . 0.58999999999999997 110.856 -178.629 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -140.14 174.77 10.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.091 -0.504 . . . . 1.1699999999999999 110.638 176.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.771 ' HA ' HD11 ' A' ' 44' ' ' LEU . 17.0 p -77.14 177.7 7.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.416 -0.811 . . . . 0.91000000000000003 109.202 172.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.65 -11.3 59.87 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.861 -0.336 . . . . 1.96 110.875 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.555 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 42.0 t -79.42 -53.15 13.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.469 -0.332 . . . . 0.84999999999999998 110.396 -178.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 66.1 m -70.96 -32.89 69.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.64000000000000001 110.531 179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 28.9 t80 -64.13 -44.51 91.96 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.44 -0.578 . . . . 0.93999999999999995 109.44 175.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.93 -13.06 79.16 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.991 -0.623 . . . . 0.80000000000000004 112.392 178.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.0 ttm180 -85.82 -54.55 4.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.881 0.372 . . . . 3.1099999999999999 110.393 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -72.69 -30.26 64.08 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 2.98 111.408 -173.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 C--N 1.325 -0.495 0 CA-C-O 120.731 0.3 . . . . 1.71 111.415 -176.82 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 111.975 -0.45 . . . . 1.6299999999999999 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -114.72 -168.92 1.45 Allowed 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.534 -0.543 . . . . 0.79000000000000004 109.534 178.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -122.93 139.8 53.67 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.906 -0.776 . . . . 2.4199999999999999 108.906 178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 24.1 t -61.3 135.14 57.62 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.618 -0.512 . . . . 0.63 109.618 176.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.01 -15.48 76.38 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.703 -0.681 . . . . 0.91000000000000003 112.264 173.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -101.94 -49.55 3.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.933 0.397 . . . . 0.93999999999999995 110.342 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 48.3 m -86.57 178.33 7.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.582 0.706 . . . . 0.77000000000000002 110.352 178.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -106.85 25.1 11.72 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 107.71 -1.219 . . . . 2.73 107.71 166.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 65.0 mttm -98.61 167.32 10.87 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 114.268 -1.333 . . . . 2.3900000000000001 110.2 -178.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.7 m -84.43 134.82 34.45 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.748 -0.66 . . . . 1.0900000000000001 111.297 -178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 7.1 t -107.56 127.63 63.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.569 -0.741 . . . . 0.53000000000000003 109.927 176.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 22' ' ' GLU . 55.9 m-85 -106.38 178.94 4.41 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.069 -1.086 . . . . 1.4099999999999999 108.069 176.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.689 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 42.8 m-70 -72.53 -14.71 61.71 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.351 -0.611 . . . . 2.6899999999999999 109.351 177.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.19 -55.03 40.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.661 -1.154 . . . . 0.85999999999999999 111.06 -178.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.38 33.87 4.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.661 -0.7 . . . . 2.8599999999999999 109.728 179.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.689 ' HB2' ' HA ' ' A' ' 19' ' ' HIS . 18.4 tt0 -82.18 122.68 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.0 -1.0 . . . . 1.28 111.987 -172.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 32' ' ' LYS . 66.5 mt -130.44 119.97 47.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.04 -0.726 . . . . 0.82999999999999996 109.04 164.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -102.52 117.4 34.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.911 0.386 . . . . 1.79 110.908 -179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 48.7 t -109.55 111.76 23.45 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.965 -0.562 . . . . 0.92000000000000004 109.619 177.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 36.0 t30 68.52 -74.35 0.08 Allowed 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.913 0.758 . . . . 2.0600000000000001 110.906 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -152.98 18.32 0.73 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.792 -0.718 . . . . 0.96999999999999997 112.29 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -134.81 129.9 35.24 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.294 0.569 . . . . 3.9199999999999999 110.524 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.4 137.25 32.49 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.115 -0.948 . . . . 0.71999999999999997 110.721 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -126.53 165.46 19.1 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.186 -0.672 . . . . 1.2 109.186 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 34' ' ' CYS . 32.2 m80 -72.66 156.5 38.9 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.858 -0.793 . . . . 0.53000000000000003 108.858 171.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 23' ' ' ILE . 55.8 tttp -51.08 -35.83 37.02 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.283 0.563 . . . . 2.3799999999999999 110.648 174.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.3 p -82.93 -8.03 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.863 -0.608 . . . . 1.3200000000000001 112.22 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 20.4 m -114.07 8.68 17.1 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.995 0.426 . . . . 0.63 111.263 -175.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.502 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 53.5 t80 -89.77 -12.89 37.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.078 -0.51 . . . . 1.0900000000000001 110.713 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.648 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 2.4 p-80 -85.87 171.25 11.65 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.241 -0.584 . . . . 1.1499999999999999 110.499 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.481 ' N ' HD23 ' A' ' 44' ' ' LEU . 16.8 t -51.14 130.83 26.98 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.812 0.815 . . . . 0.76000000000000001 113.059 -164.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.53 -31.06 62.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.047 -1.433 . . . . 1.22 111.148 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.518 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -81.16 -54.31 5.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.91000000000000003 111.675 -170.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -100.68 -89.42 0.34 Allowed 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.274 -0.639 . . . . 1.3799999999999999 109.274 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 12.5 tpp180 174.7 19.75 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.102 0.876 . . . . 2.7799999999999998 109.785 170.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.648 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 46.8 tptt -53.16 133.1 39.28 Favored 'General case' 0 CA--C 1.523 -0.092 0 CA-C-N 115.974 -0.557 . . . . 1.8 110.335 177.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.443 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -78.62 96.47 5.5 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.95 0.405 . . . . 0.54000000000000004 110.282 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.699 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -72.06 148.37 45.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.36 0.6 . . . . 0.46999999999999997 111.243 179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -112.08 176.03 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.914 -1.143 . . . . 2.1699999999999999 107.914 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.2 p -60.08 -30.0 68.94 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 118.678 0.672 . . . . 1.5800000000000001 111.861 -174.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.0 t -99.43 -18.71 17.33 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.917 0.71 . . . . 1.71 112.917 -174.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.2 p -95.3 -19.04 20.31 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 113.08 0.77 . . . . 0.66000000000000003 113.08 -170.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.555 HG23 HG13 ' A' ' 56' ' ' ILE . 1.0 OUTLIER -64.45 128.26 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.56 . . . . 0.51000000000000001 111.962 -177.219 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -98.18 107.76 20.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 0.38 110.083 176.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -96.16 146.24 24.84 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.014 -0.539 . . . . 0.68000000000000005 111.026 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.661 ' HB2' ' HE2' ' A' ' 62' ' ' TYR . 48.3 t60 -140.09 90.06 2.35 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.042 -0.527 . . . . 1.49 109.843 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 64.45 -78.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.676 0.61 . . . . 2.3599999999999999 111.876 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.4 p -125.81 26.7 6.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.179 0.514 . . . . 1.8500000000000001 109.99 178.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 53.9 mt-10 -131.24 155.71 46.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.795 -0.639 . . . . 2.5 111.127 -176.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.555 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.62 126.46 5.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 0.58999999999999997 109.355 173.529 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 53.9 m-85 -146.04 175.29 10.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.282 -0.417 . . . . 1.1699999999999999 110.272 179.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.699 ' HA ' HD11 ' A' ' 44' ' ' LEU . 15.4 p -77.07 167.99 20.85 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.853 -0.612 . . . . 0.91000000000000003 109.483 172.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -64.97 -19.81 66.16 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.844 0.354 . . . . 1.96 111.001 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 64' ' ' ARG . 21.6 t -78.96 -52.15 15.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.511 -0.313 . . . . 0.84999999999999998 110.811 -175.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.518 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 71.6 m -68.88 -37.57 79.11 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.522 -0.308 . . . . 0.64000000000000001 111.146 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.661 ' HE2' ' HB2' ' A' ' 52' ' ' HIS . 42.7 t80 -62.59 -41.65 99.09 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.481 -0.562 . . . . 0.93999999999999995 109.481 177.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -61.46 -37.65 94.46 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.784 -0.643 . . . . 0.80000000000000004 112.8 178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 54.1 mtt180 -72.59 -58.61 3.24 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.242 0.544 . . . . 3.1099999999999999 110.825 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 65' ' ' ARG . 33.0 ttt180 -65.14 -27.9 69.05 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.491 -0.777 . . . . 2.98 111.417 -171.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 121.046 0.451 . . . . 1.71 111.206 179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.776 0 N-CA-C 111.971 -0.452 . . . . 1.6299999999999999 111.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.37 169.72 9.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.777 -0.453 . . . . 0.79000000000000004 109.777 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.461 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -116.83 143.27 45.87 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.463 -0.94 . . . . 2.4199999999999999 108.463 175.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.754 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 37.7 t -69.55 130.75 43.3 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.658 -0.701 . . . . 0.63 110.541 -176.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.444 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -64.56 -11.92 50.26 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.942 -0.647 . . . . 0.91000000000000003 112.354 173.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -106.14 -49.52 3.35 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.938 0.399 . . . . 0.93999999999999995 110.349 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.754 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 71.3 m -80.87 179.52 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.967 0.889 . . . . 0.77000000000000002 111.248 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 14' ' ' GLU . 3.2 pm0 -106.98 6.52 29.19 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.674 -1.232 . . . . 2.73 107.674 164.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 38.0 mttm -91.35 -176.19 4.48 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 114.021 -1.445 . . . . 2.3900000000000001 110.137 -176.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.51 144.13 28.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.609 0.596 . . . . 1.0900000000000001 112.609 -176.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' A' ' 31' ' ' HIS . 62.6 t -106.89 139.38 28.58 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 115.352 -0.84 . . . . 0.53000000000000003 110.09 176.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -124.72 175.91 6.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.717 -0.674 . . . . 1.4099999999999999 109.759 -177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -65.35 -11.57 43.39 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 121.237 0.541 . . . . 2.6899999999999999 110.196 177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.26 -48.0 79.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.318 -0.855 . . . . 0.85999999999999999 111.152 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 16.6 pt-20 -147.08 45.28 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.657 -0.417 . . . . 2.8599999999999999 111.674 -177.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -91.56 119.03 31.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.21 0.528 . . . . 1.28 111.696 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 32' ' ' LYS . 54.2 mt -113.11 119.71 61.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.41 -0.814 . . . . 0.82999999999999996 108.899 167.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -94.23 103.14 15.17 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.152 0.501 . . . . 1.79 109.714 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 49.5 t -112.82 130.35 56.12 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.617 -0.72 . . . . 0.92000000000000004 109.358 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' ' 54' ' ' SER . 40.2 t30 69.44 -63.02 0.39 Allowed 'General case' 0 N--CA 1.466 0.354 0 O-C-N 124.045 0.841 . . . . 2.0600000000000001 110.861 -177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.509 ' C ' ' HD2' ' A' ' 28' ' ' ARG . . . 176.99 26.07 0.03 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 116.086 -0.507 . . . . 0.96999999999999997 112.015 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.509 ' HD2' ' C ' ' A' ' 27' ' ' GLY . 3.5 mpt_? -133.7 149.97 51.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.847 -0.427 . . . . 3.9199999999999999 109.847 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 53.8 m -87.24 122.31 30.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.11 -0.495 . . . . 0.71999999999999997 110.735 177.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' CE1' ' HA3' ' A' ' 11' ' ' GLY . 58.2 m-85 -122.75 146.16 47.76 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.045 -0.525 . . . . 1.2 109.821 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.64 ' CD2' HG22 ' A' ' 17' ' ' VAL . 27.2 m170 -65.48 154.8 37.52 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.279 -0.637 . . . . 0.53000000000000003 109.279 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HA ' HD12 ' A' ' 23' ' ' ILE . 53.3 tttp -66.7 -28.24 68.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.275 0.559 . . . . 2.3799999999999999 109.501 178.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -82.89 -8.72 59.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.3200000000000001 110.527 176.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 59.8 m -115.43 4.3 14.29 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.78 -0.645 . . . . 0.63 111.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.515 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 59.0 t80 -75.84 -12.41 60.16 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.532 0.682 . . . . 1.0900000000000001 110.341 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.651 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 5.9 p-80 -91.8 168.51 11.4 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 119.816 -0.754 . . . . 1.1499999999999999 110.985 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 44' ' ' LEU . 31.0 t -44.61 130.27 6.86 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 114.37 1.248 . . . . 0.76000000000000001 114.37 -160.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 21.8 mmt -75.41 -24.9 57.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.393 -1.276 . . . . 1.22 110.932 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.49 ' HB2' ' CD1' ' A' ' 57' ' ' TYR . . . -84.72 -46.93 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.393 -0.367 . . . . 0.91000000000000003 111.131 -173.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.9 p -111.82 -90.51 0.49 Allowed 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 108.982 -0.747 . . . . 1.3799999999999999 108.982 173.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 5.2 tpt180 174.38 18.35 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.882 0.739 . . . . 2.7799999999999998 110.268 169.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.679 ' HD3' ' HB2' ' A' ' 58' ' ' CYS . 56.3 tttp -55.9 139.12 47.09 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.19 -0.459 . . . . 1.8 110.675 178.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -73.86 102.5 4.08 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.04 0.385 . . . . 0.54000000000000004 112.04 -176.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.745 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -83.31 150.28 26.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.119 -0.491 . . . . 0.46999999999999997 110.707 176.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -115.67 -170.34 1.76 Allowed 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.407 -0.96 . . . . 2.1699999999999999 108.407 171.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.2 p -57.68 -50.74 72.18 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.94 0.718 . . . . 1.5800000000000001 112.94 -172.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.1 p -101.97 5.27 40.67 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.988 0.736 . . . . 1.71 112.988 -173.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.6 -17.89 14.97 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.153 0.427 . . . . 0.66000000000000003 112.153 -177.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG23 HG13 ' A' ' 56' ' ' ILE . 0.5 OUTLIER -67.55 133.07 32.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.217 0.532 . . . . 0.51000000000000001 111.323 178.589 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -101.66 107.92 19.3 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-N 115.809 -0.632 . . . . 0.38 110.01 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -104.7 134.92 47.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.201 -0.454 . . . . 0.68000000000000005 111.067 -178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.523 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 30.3 t-80 -121.23 100.63 7.16 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.956 -0.565 . . . . 1.49 109.967 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 70.03 -56.81 0.57 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.188 0.93 . . . . 2.3599999999999999 111.75 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.445 ' HA ' ' ND2' ' A' ' 26' ' ' ASN . 31.2 t -141.44 -37.59 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.371 -0.377 . . . . 1.8500000000000001 111.04 -179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -89.03 144.82 25.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 2.5 111.782 -171.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -116.19 134.16 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.734 -0.666 . . . . 0.58999999999999997 110.402 -177.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.49 ' CD1' ' HB2' ' A' ' 39' ' ' ALA . 75.1 m-85 -142.19 169.72 17.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.601 -0.272 . . . . 1.1699999999999999 110.689 178.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.745 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.7 p -79.73 156.48 27.5 Favored 'General case' 0 N--CA 1.446 -0.625 0 N-CA-C 108.683 -0.858 . . . . 0.91000000000000003 108.683 172.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -61.27 -23.24 65.53 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.006 0.743 . . . . 1.96 113.006 -172.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.744 HG22 ' SG ' ' A' ' 58' ' ' CYS . 16.2 m -80.68 -39.15 18.01 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 120.032 -0.667 . . . . 0.84999999999999998 111.204 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.01 -36.21 74.94 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.64000000000000001 110.388 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.523 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 24.2 t80 -63.77 -48.81 75.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.142 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.86 -16.65 79.29 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.773 -0.727 . . . . 0.80000000000000004 112.956 -178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -87.55 -51.31 5.98 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.211 0.529 . . . . 3.1099999999999999 110.576 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -74.38 -37.28 63.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.654 -0.703 . . . . 2.98 111.704 -175.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 . . . . . 0 C--N 1.325 -0.457 0 N-CA-C 111.886 0.328 . . . . 1.71 111.886 -175.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.388 0 N-CA-C 112.267 -0.333 . . . . 1.6299999999999999 112.267 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -126.42 -174.36 3.1 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.465 -0.568 . . . . 0.79000000000000004 109.465 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -124.42 148.09 47.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.178 0.514 . . . . 2.4199999999999999 109.736 174.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 48.5 t -64.35 130.77 45.08 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.978 -1.01 . . . . 0.63 110.573 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.51 -12.44 69.9 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.745 -0.74 . . . . 0.91000000000000003 112.325 173.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.02 -49.14 4.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.919 0.39 . . . . 0.93999999999999995 110.321 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.616 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 59.6 m -89.04 -173.63 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.402 0.62 . . . . 0.77000000000000002 110.729 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -108.55 9.74 27.3 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.557 -1.275 . . . . 2.73 107.557 167.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.616 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 36.5 mttm -94.29 164.14 13.15 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 114.178 -1.374 . . . . 2.3900000000000001 110.558 -172.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.54 151.97 28.88 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.326 -0.852 . . . . 1.0900000000000001 111.954 -174.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.734 HG22 ' CD2' ' A' ' 31' ' ' HIS . 9.2 t -124.8 127.5 72.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.354 -0.839 . . . . 0.53000000000000003 110.254 177.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -125.51 -168.35 1.82 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.449 . . . . 1.4099999999999999 109.831 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -56.54 -31.37 64.09 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.473 0.545 . . . . 2.6899999999999999 112.473 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.62 -42.33 86.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.065 0.459 . . . . 0.85999999999999999 112.034 -171.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.6 ' O ' ' HA ' ' A' ' 31' ' ' HIS . 0.8 OUTLIER -127.45 32.9 4.94 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.998 -0.546 . . . . 2.8599999999999999 111.86 -172.061 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -103.71 131.17 51.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 1.28 112.079 -178.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' CD1' ' HA ' ' A' ' 32' ' ' LYS . 3.6 mp -127.97 119.37 51.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.352 -0.981 . . . . 0.82999999999999996 108.352 160.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -84.13 102.9 12.91 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.317 0.58 . . . . 1.79 109.752 177.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.456 ' SG ' ' HD2' ' A' ' 30' ' ' PHE . 2.5 m -97.46 113.05 24.67 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 0.92000000000000004 109.62 -175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 70.58 -58.9 0.54 Allowed 'General case' 0 N--CA 1.464 0.225 0 O-C-N 124.038 0.836 . . . . 2.0600000000000001 110.444 -177.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -172.32 23.12 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.84 -0.695 . . . . 0.96999999999999997 112.775 176.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.637 ' HE ' ' HA ' ' A' ' 28' ' ' ARG . 1.4 mmp_? -136.49 139.95 42.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.881 0.34 . . . . 3.9199999999999999 110.748 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 m -80.52 126.15 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.346 -0.388 . . . . 0.71999999999999997 111.095 178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HD2' ' SG ' ' A' ' 25' ' ' CYS . 86.9 m-85 -129.83 166.86 19.09 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.502 -0.555 . . . . 1.2 109.502 175.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.734 ' CD2' HG22 ' A' ' 17' ' ' VAL . 17.9 m170 -72.98 161.33 30.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.918 0.39 . . . . 0.53000000000000003 111.001 177.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 36.1 ttmt -64.15 -40.5 96.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.81 -0.632 . . . . 2.3799999999999999 110.287 177.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.6 t -79.32 -18.35 52.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.964 -0.562 . . . . 1.3200000000000001 110.046 176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 79.1 m -96.36 20.4 10.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.917 -0.583 . . . . 0.63 111.2 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -87.08 12.49 11.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.768 0.794 . . . . 1.0900000000000001 109.763 173.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -85.75 174.82 9.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.103 -0.499 . . . . 1.1499999999999999 109.723 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 42.4 t -63.27 125.09 22.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.989 0.423 . . . . 0.76000000000000001 110.134 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 26.3 mmt -73.03 -16.24 61.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.382 -0.826 . . . . 1.22 111.141 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -90.37 -51.15 5.57 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 116.481 -0.327 . . . . 0.91000000000000003 111.006 -175.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 26.4 p -105.34 -91.83 0.38 Allowed 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 119.963 -0.695 . . . . 1.3799999999999999 109.564 175.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 6.2 tpp180 174.97 24.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.432 0.634 . . . . 2.7799999999999998 109.985 174.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.3 tttm -69.07 139.34 54.84 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.683 -0.69 . . . . 1.8 110.107 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.03 99.0 8.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.872 0.368 . . . . 0.54000000000000004 110.25 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -72.91 143.95 47.54 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.417 0.627 . . . . 0.46999999999999997 112.175 -175.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -102.23 159.7 15.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.316 -0.856 . . . . 2.1699999999999999 108.783 173.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -49.33 -37.69 25.33 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.048 0.759 . . . . 1.5800000000000001 113.048 -171.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 43.7 p -101.47 -2.53 30.53 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 113.056 0.762 . . . . 1.71 113.056 -175.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 p -106.27 -12.02 15.84 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.582 -0.447 . . . . 0.66000000000000003 112.179 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.525 HG23 HG13 ' A' ' 56' ' ' ILE . 1.2 p -74.5 134.73 28.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.068 0.461 . . . . 0.51000000000000001 111.05 177.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -111.18 108.55 18.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.499 -0.773 . . . . 0.38 110.255 177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 55' ' ' GLU . . . -108.21 126.31 52.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.0 -0.546 . . . . 0.68000000000000005 110.337 178.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -126.98 114.8 18.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.469 -0.332 . . . . 1.49 110.391 -177.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 72.89 -54.66 0.69 Allowed 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 123.788 0.835 . . . . 2.3599999999999999 111.826 176.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.3 t -160.41 -26.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.315 -0.402 . . . . 1.8500000000000001 110.757 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' ALA . 19.5 mm-40 -90.82 151.13 21.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.651 0.263 . . . . 2.5 111.644 -176.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.525 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -128.0 126.86 67.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.984 -0.553 . . . . 0.58999999999999997 110.077 179.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -141.59 174.34 10.65 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.274 0.559 . . . . 1.1699999999999999 111.292 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.772 ' HA ' HD11 ' A' ' 44' ' ' LEU . 13.7 p -79.19 163.21 25.2 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 114.915 -1.039 . . . . 0.91000000000000003 108.691 170.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -69.71 -12.82 61.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.592 0.234 . . . . 1.96 111.416 -176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.506 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 61.3 t -75.39 -52.75 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 109.742 -0.466 . . . . 0.84999999999999998 109.742 178.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 73.6 m -70.94 -32.66 69.62 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.991 -0.55 . . . . 0.64000000000000001 110.784 179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -59.52 -53.4 58.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.913 -0.585 . . . . 0.93999999999999995 110.32 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.52 -14.24 82.19 Favored Glycine 0 C--O 1.226 -0.357 0 C-N-CA 120.813 -0.708 . . . . 0.80000000000000004 112.186 178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -72.69 -50.86 22.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.97 0.414 . . . . 3.1099999999999999 110.187 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -75.94 -44.98 37.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.911 -0.586 . . . . 2.98 111.009 -178.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.508 -0.315 . . . . 1.71 111.52 -176.32 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 111.586 -0.606 . . . . 1.6299999999999999 111.586 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -116.71 -172.38 2.19 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 110.045 -0.354 . . . . 0.79000000000000004 110.045 -176.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.24 141.19 43.54 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.002 -1.11 . . . . 2.4199999999999999 108.002 175.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.594 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 38.6 t -61.25 131.29 49.92 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.667 -177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -8.93 20.37 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.948 -0.644 . . . . 0.91000000000000003 112.732 172.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.41 ' HB2' ' SD ' ' A' ' 38' ' ' MET . . . -114.0 -48.79 2.89 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.868 0.366 . . . . 0.93999999999999995 110.99 176.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.675 ' HB3' ' HG3' ' A' ' 15' ' ' LYS . 76.1 m -84.14 163.16 19.96 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-O 121.165 0.507 . . . . 0.77000000000000002 110.992 179.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.62 4.57 48.99 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.689 -0.856 . . . . 2.73 108.689 162.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.675 ' HG3' ' HB3' ' A' ' 13' ' ' CYS . 39.1 mttp -82.63 167.1 18.6 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 114.529 -1.214 . . . . 2.3900000000000001 109.522 178.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.72 145.2 25.37 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.343 0.592 . . . . 1.0900000000000001 112.056 178.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.641 HG22 ' CD2' ' A' ' 31' ' ' HIS . 55.4 t -100.35 138.75 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.341 -0.845 . . . . 0.53000000000000003 109.476 175.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -131.64 177.97 7.1 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.701 -0.851 . . . . 1.4099999999999999 108.701 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -66.39 -11.58 52.26 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.992 0.425 . . . . 2.6899999999999999 110.242 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.37 -37.97 62.91 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 115.58 -0.736 . . . . 0.85999999999999999 110.87 174.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' OE1' ' HB3' ' A' ' 31' ' ' HIS . 15.4 pt-20 -159.66 55.22 0.38 Allowed 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.478 0.656 . . . . 2.8599999999999999 111.24 177.034 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -90.11 125.06 35.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 1.28 111.301 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 HG21 ' CD1' ' A' ' 35' ' ' PHE . 57.0 mt -129.49 119.6 48.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.424 -0.584 . . . . 0.82999999999999996 109.424 167.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -96.96 102.96 14.84 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.262 -0.644 . . . . 1.79 109.262 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' HB2' ' HE1' ' A' ' 35' ' ' PHE . 53.1 t -115.46 121.73 43.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.241 -0.436 . . . . 0.92000000000000004 111.033 -174.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 71.55 -47.46 0.66 Allowed 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.952 0.782 . . . . 2.0600000000000001 112.389 174.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.26 -48.24 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.309 -0.948 . . . . 0.96999999999999997 113.525 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 28' ' ' ARG . 19.0 mmt180 -115.51 175.46 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.133 0.492 . . . . 3.9199999999999999 112.105 -172.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.5 m -99.98 130.05 46.11 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.238 -0.892 . . . . 0.71999999999999997 110.481 -176.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -126.63 161.63 27.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.756 -0.656 . . . . 1.2 109.39 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.641 ' CD2' HG22 ' A' ' 17' ' ' VAL . 24.9 m170 -70.5 161.93 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.95 -0.3 . . . . 0.53000000000000003 110.925 174.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' CB ' ' HB2' ' A' ' 21' ' ' GLU . 4.6 ttmp? -64.71 -35.25 80.44 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.849 -0.797 . . . . 2.3799999999999999 108.849 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.6 p -77.98 -5.02 49.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.21 -0.905 . . . . 1.3200000000000001 111.387 176.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 34.3 m -125.49 18.09 8.17 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.253 -0.43 . . . . 0.63 110.736 -178.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.518 ' HE1' ' HB2' ' A' ' 25' ' ' CYS . 51.4 t80 -85.45 -15.42 43.0 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.383 0.611 . . . . 1.0900000000000001 109.959 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 43' ' ' ALA . 3.3 p-80 -85.69 174.05 9.66 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.741 -0.663 . . . . 1.1499999999999999 109.926 178.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.474 ' N ' HD23 ' A' ' 44' ' ' LEU . 30.6 t -52.63 129.84 30.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 122.076 0.941 . . . . 0.76000000000000001 113.382 -166.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.41 ' SD ' ' HB2' ' A' ' 12' ' ' ALA . 22.6 mmt -74.21 -29.36 61.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.167 -1.379 . . . . 1.22 110.585 175.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -83.85 -42.7 16.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.047 -0.524 . . . . 0.91000000000000003 111.853 -168.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.498 ' SG ' ' N ' ' A' ' 41' ' ' ARG . 28.2 p -114.33 -90.36 0.53 Allowed 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 109.184 -0.673 . . . . 1.3799999999999999 109.184 174.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.498 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 4.3 tpt180 177.51 14.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.887 0.742 . . . . 2.7799999999999998 110.673 170.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.518 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 58.3 tptt -55.51 133.89 50.41 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 109.927 -0.397 . . . . 1.8 109.927 177.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 36' ' ' HIS . . . -77.74 115.91 17.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.787 0.327 . . . . 0.54000000000000004 110.85 -178.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.7 mm? -92.49 155.78 17.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.9 -0.591 . . . . 0.46999999999999997 111.175 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.416 ' O ' HG12 ' A' ' 49' ' ' VAL . 4.4 m-20 -115.38 176.47 5.06 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.338 -0.986 . . . . 2.1699999999999999 108.338 170.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 t -61.68 -25.18 67.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.62 0.248 . . . . 1.5800000000000001 111.244 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.2 p -98.09 -24.28 15.39 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.915 0.709 . . . . 1.71 112.915 -175.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 p -95.89 -14.02 23.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.66 0.615 . . . . 0.66000000000000003 112.66 -173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.561 HG23 HG13 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -64.74 127.58 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.357 0.598 . . . . 0.51000000000000001 111.607 -179.115 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -94.38 107.85 19.79 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.267 -0.878 . . . . 0.38 109.884 177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.32 152.47 19.4 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.838 -0.619 . . . . 0.68000000000000005 110.749 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.55 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 21.3 t60 -145.8 89.72 1.93 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.911 -0.586 . . . . 1.49 109.777 176.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 66.08 -65.09 0.19 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.743 0.817 . . . . 2.3599999999999999 112.168 177.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.4 t -129.43 -13.76 4.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.932 0.396 . . . . 1.8500000000000001 110.603 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.561 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 48.7 mt-10 -94.66 161.17 14.3 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.054 0.39 . . . . 2.5 112.054 -175.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.561 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.03 127.89 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 CA-C-N 115.307 -0.861 . . . . 0.58999999999999997 109.269 173.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 82.9 m-85 -146.81 174.75 11.19 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.479 -0.328 . . . . 1.1699999999999999 110.428 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.644 ' HA ' HD11 ' A' ' 44' ' ' LEU . 10.0 p -74.32 156.8 36.75 Favored 'General case' 0 N--CA 1.448 -0.56 0 N-CA-C 108.487 -0.931 . . . . 0.91000000000000003 108.487 169.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.45 -10.44 55.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.379 . . . . 1.96 111.3 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.596 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 49.7 t -76.86 -48.43 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.774 -0.454 . . . . 0.84999999999999998 109.774 176.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.68 ' HA ' ' HG2' ' A' ' 64' ' ' ARG . 73.4 m -73.12 -34.34 66.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.541 -0.299 . . . . 0.64000000000000001 111.322 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 9.8 t80 -58.51 -38.55 77.92 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.856 -0.794 . . . . 0.93999999999999995 108.856 175.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.25 -37.11 43.16 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.324 -0.853 . . . . 0.80000000000000004 112.91 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.68 ' HG2' ' HA ' ' A' ' 61' ' ' CYS . 13.2 ptm180 -74.07 -25.21 59.7 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 117.51 0.655 . . . . 3.1099999999999999 110.896 -176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 61' ' ' CYS . 74.8 mtp180 -77.41 -57.23 3.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 2.98 110.726 177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.122 -0.49 . . . . 1.71 112.234 -171.16 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.708 -0.557 . . . . 1.6299999999999999 111.708 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 -178.23 7.11 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.609 -0.515 . . . . 0.79000000000000004 109.609 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' HB2' ' HE2' ' A' ' 9' ' ' LYS . 8.5 ptmm? -108.53 147.01 32.35 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.13 -1.063 . . . . 2.4199999999999999 108.13 172.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 22.3 t -63.0 129.12 38.97 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.849 -1.069 . . . . 0.63 110.353 -178.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.42 -2.58 68.56 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.677 -0.692 . . . . 0.91000000000000003 112.016 173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -106.42 -54.17 2.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.698 0.285 . . . . 0.93999999999999995 110.767 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.603 ' O ' ' HB3' ' A' ' 10' ' ' CYS . 11.5 p -117.86 172.11 7.61 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.631 -0.507 . . . . 0.77000000000000002 109.631 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -93.72 30.87 1.69 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.992 -0.443 . . . . 2.73 111.573 -176.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.769 ' HB2' ' HE1' ' A' ' 31' ' ' HIS . 35.6 mttp -98.39 167.21 10.98 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.182 -0.673 . . . . 2.3900000000000001 109.182 171.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 18' ' ' TYR . 1.1 p -91.35 135.9 33.49 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.09 0.472 . . . . 1.0900000000000001 111.312 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.594 HG22 ' CD2' ' A' ' 31' ' ' HIS . 78.2 t -92.62 129.89 42.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.892 -0.595 . . . . 0.53000000000000003 110.225 -178.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.424 ' HE2' ' HG1' ' A' ' 16' ' ' THR . 78.4 m-85 -133.75 -174.07 3.42 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 116.109 -0.496 . . . . 1.4099999999999999 110.158 -177.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -65.04 -12.48 50.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.892 0.377 . . . . 2.6899999999999999 110.757 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.94 -39.46 78.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.494 . . . . 0.85999999999999999 111.021 177.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -162.17 51.66 0.21 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 120.986 0.422 . . . . 2.8599999999999999 111.756 -179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -82.81 119.79 24.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.819 -0.352 . . . . 1.28 110.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD13 ' CD1' ' A' ' 35' ' ' PHE . 4.0 tt -117.11 138.54 47.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 108.593 -0.892 . . . . 0.82999999999999996 108.593 171.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -116.49 108.06 15.53 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.528 -0.469 . . . . 1.79 111.18 -176.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.6 t -104.3 108.0 19.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.807 -0.633 . . . . 0.92000000000000004 109.532 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 t30 71.81 -69.07 0.2 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.777 0.831 . . . . 2.0600000000000001 110.962 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.71 30.55 0.28 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.479 -0.867 . . . . 0.96999999999999997 112.741 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 28' ' ' ARG . 26.6 mmt180 -135.12 136.83 42.24 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 122.691 -0.299 . . . . 3.9199999999999999 111.183 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 54.5 m -88.18 114.33 24.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.724 -0.671 . . . . 0.71999999999999997 110.763 178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' HB2' HG22 ' A' ' 23' ' ' ILE . 80.7 m-85 -114.09 168.89 9.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.623 -0.717 . . . . 1.2 109.209 176.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.769 ' HE1' ' HB2' ' A' ' 15' ' ' LYS . 28.9 m170 -78.71 151.2 32.27 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.831 -0.433 . . . . 0.53000000000000003 109.831 170.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.72 -29.57 70.55 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.299 0.571 . . . . 2.3799999999999999 109.985 176.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.404 HG22 ' HB3' ' A' ' 31' ' ' HIS . 15.2 t -81.63 -16.74 50.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 1.3200000000000001 110.741 177.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 56.6 m -109.76 19.82 18.73 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.121 -0.491 . . . . 0.63 111.089 -178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' A' ' 23' ' ' ILE . 81.2 t80 -80.18 -17.46 52.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.935 0.398 . . . . 1.0900000000000001 111.603 -177.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 0.4 OUTLIER -85.65 175.13 8.92 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.168 -0.613 . . . . 1.1499999999999999 112.21 -175.417 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.6 t -48.38 128.01 13.89 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.865 0.728 . . . . 0.76000000000000001 112.768 -163.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -74.35 -24.34 59.16 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.435 -1.257 . . . . 1.22 111.176 179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.43 ' HB3' ' SG ' ' A' ' 61' ' ' CYS . . . -85.37 -55.96 3.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.301 -0.409 . . . . 0.91000000000000003 111.475 -172.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 41' ' ' ARG . 27.5 p -99.21 -90.25 0.3 Allowed 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 120.234 -0.587 . . . . 1.3799999999999999 109.502 178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 40' ' ' CYS . 15.0 tpp180 173.5 21.75 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.332 1.02 . . . . 2.7799999999999998 109.313 170.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 19.8 tptm -62.4 139.01 58.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.497 -0.774 . . . . 1.8 110.24 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 36' ' ' HIS . . . -76.41 126.27 30.69 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 110.129 -0.322 . . . . 0.54000000000000004 110.129 177.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 58' ' ' CYS . 3.6 mm? -105.76 137.81 43.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.258 0.551 . . . . 0.46999999999999997 111.093 -178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.481 ' OD1' HG22 ' A' ' 47' ' ' THR . 12.4 t70 -98.64 157.65 16.12 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 107.65 -1.241 . . . . 2.1699999999999999 107.65 171.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -64.31 -13.77 52.09 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.341 0.497 . . . . 1.5800000000000001 112.341 -174.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.481 HG22 ' OD1' ' A' ' 45' ' ' ASP . 14.9 t -102.41 -6.45 22.97 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 111.961 0.356 . . . . 1.71 111.961 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.5 p -115.44 -17.85 11.14 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 112.872 0.693 . . . . 0.66000000000000003 112.872 -175.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.512 ' HA ' HD12 ' A' ' 44' ' ' LEU . 1.4 p -64.87 135.56 28.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-O 121.167 0.508 . . . . 0.51000000000000001 111.559 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 59' ' ' LYS . . . -102.54 108.05 19.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.425 -0.807 . . . . 0.38 109.826 175.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -109.58 98.96 8.23 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.143 0.497 . . . . 0.68000000000000005 111.011 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.838 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 7.1 t60 -96.64 108.88 21.57 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.098 -1.075 . . . . 1.49 108.098 177.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 63.75 -126.23 0.51 Allowed 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.225 -0.657 . . . . 2.3599999999999999 109.225 -170.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.7 m -93.16 3.71 55.22 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.189 -0.319 . . . . 1.8500000000000001 111.219 178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.81 ' HB3' ' HE1' ' A' ' 57' ' ' TYR . 44.6 mt-10 -99.42 117.54 34.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.02 0.438 . . . . 2.5 111.57 -175.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.482 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -110.74 126.69 68.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.808 -0.633 . . . . 0.58999999999999997 110.885 -179.039 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.81 ' HE1' ' HB3' ' A' ' 55' ' ' GLU . 50.1 m-85 -146.35 174.22 11.56 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.113 -0.494 . . . . 1.1699999999999999 110.331 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.656 ' HA ' HD11 ' A' ' 44' ' ' LEU . 8.4 p -77.07 150.62 35.69 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.986 -1.116 . . . . 0.91000000000000003 107.986 170.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 50' ' ' ALA . 58.1 mtmt -65.19 -8.29 16.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.618 0.599 . . . . 1.96 112.618 -173.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.3 t -78.81 -50.19 19.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.859 -0.423 . . . . 0.84999999999999998 109.859 175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.43 ' SG ' ' HB3' ' A' ' 39' ' ' ALA . 75.0 m -68.27 -32.05 71.95 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.957 0.408 . . . . 0.64000000000000001 110.245 175.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.838 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 73.0 t80 -58.98 -49.55 77.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.778 -0.646 . . . . 0.93999999999999995 110.019 175.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.46 79.13 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.80000000000000004 112.422 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 64' ' ' ARG . 44.3 ttm180 -59.76 -39.17 83.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.137 0.494 . . . . 3.1099999999999999 110.749 178.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -81.69 -52.19 7.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 2.98 110.932 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.781 -0.645 . . . . 1.71 111.217 -175.235 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 111.454 -0.659 . . . . 1.6299999999999999 111.454 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -91.74 -179.63 5.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.671 0.272 . . . . 0.79000000000000004 110.739 -177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -129.46 142.73 50.72 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.79 -0.818 . . . . 2.4199999999999999 108.79 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.687 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 25.0 t -66.51 136.85 56.27 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.68 -0.691 . . . . 0.63 110.513 -176.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 30' ' ' PHE . . . -75.62 -7.42 83.15 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.644 -0.789 . . . . 0.91000000000000003 112.052 171.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . . . -108.6 -38.93 5.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.888 0.375 . . . . 0.93999999999999995 110.318 177.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 83.1 m -92.23 -173.94 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.885 -0.598 . . . . 0.77000000000000002 109.807 173.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.28 11.94 16.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.471 -1.307 . . . . 2.73 107.471 160.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 42.6 mmtm -82.35 -177.24 6.58 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 113.951 -1.477 . . . . 2.3900000000000001 109.363 178.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -96.34 142.52 28.36 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.966 -0.561 . . . . 1.0900000000000001 112.028 -177.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.677 HG22 ' CD2' ' A' ' 31' ' ' HIS . 39.3 t -107.84 138.9 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.659 -0.701 . . . . 0.53000000000000003 109.95 176.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -129.28 168.33 16.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.704 -0.85 . . . . 1.4099999999999999 108.704 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -61.63 -12.12 14.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.692 0.282 . . . . 2.6899999999999999 110.761 177.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.91 -48.3 70.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.936 -0.575 . . . . 0.85999999999999999 111.403 173.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -143.86 44.6 1.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.136 0.493 . . . . 2.8599999999999999 111.002 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.58 120.24 26.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.307 -0.406 . . . . 1.28 111.072 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 30' ' ' PHE . 6.9 tt -110.2 136.82 45.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.146 -1.057 . . . . 0.82999999999999996 108.146 169.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -107.35 103.44 12.8 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.706 -0.397 . . . . 1.79 110.721 -173.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 26' ' ' ASN . 36.5 t -118.21 127.37 53.68 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.843 -0.799 . . . . 0.92000000000000004 108.843 178.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.422 ' HB3' ' O ' ' A' ' 25' ' ' CYS . 1.6 t-20 71.85 -38.15 0.41 Allowed 'General case' 0 N--CA 1.473 0.681 0 O-C-N 123.773 0.67 . . . . 2.0600000000000001 112.379 -179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.72 -9.99 1.64 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.155 -0.778 . . . . 0.96999999999999997 111.155 -174.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -99.02 142.64 30.25 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.672 -0.492 . . . . 3.9199999999999999 109.672 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -83.5 129.56 34.98 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.117 0.484 . . . . 0.71999999999999997 111.049 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 23' ' ' ILE . 82.4 m-85 -123.43 166.45 15.35 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.086 -0.709 . . . . 1.2 109.086 175.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.677 ' CD2' HG22 ' A' ' 17' ' ' VAL . 28.8 m170 -77.59 143.7 38.1 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.156 -0.683 . . . . 0.53000000000000003 109.156 170.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.6 ttmm -60.16 -28.07 67.61 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.514 0.673 . . . . 2.3799999999999999 109.437 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 m -77.26 -24.37 51.1 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.124 -0.943 . . . . 1.3200000000000001 110.683 177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' HB2' ' A' ' 31' ' ' HIS . 82.4 m -99.82 3.11 44.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.973 -0.558 . . . . 0.63 112.099 -172.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -77.13 79.96 3.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.295 0.569 . . . . 1.0900000000000001 110.175 179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.671 ' HB2' ' O ' ' A' ' 42' ' ' LYS . 11.4 p-80 -164.23 177.48 8.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.559 -0.746 . . . . 1.1499999999999999 109.883 177.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' O ' ' HD3' ' A' ' 41' ' ' ARG . 25.3 t -53.67 125.5 18.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.228 0.537 . . . . 0.76000000000000001 110.986 -171.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.449 ' HA ' ' NH1' ' A' ' 41' ' ' ARG . 26.0 mmt -74.4 -9.65 58.8 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.753 -0.658 . . . . 1.22 111.183 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -99.27 -75.35 0.57 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.52 -0.309 . . . . 0.91000000000000003 111.485 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' SG ' ' HB2' ' A' ' 42' ' ' LYS . 27.4 p -86.49 -8.99 57.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.78 0.324 . . . . 1.3799999999999999 110.918 -176.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.555 ' HD3' ' O ' ' A' ' 37' ' ' CYS . 34.1 mmt180 69.25 22.97 6.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.51 -0.768 . . . . 2.7799999999999998 111.418 -179.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.671 ' O ' ' HB2' ' A' ' 36' ' ' HIS . 47.3 tptt -57.37 137.84 55.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.643 -0.708 . . . . 1.8 109.629 169.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.18 122.76 24.12 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.612 -0.514 . . . . 0.54000000000000004 109.612 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 37' ' ' CYS . 3.3 mm? -97.56 145.55 26.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.261 -0.427 . . . . 0.46999999999999997 110.994 -176.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -88.45 179.15 6.36 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.237 -1.023 . . . . 2.1699999999999999 108.237 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.9 m -69.9 -28.48 65.65 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.999 0.428 . . . . 1.5800000000000001 110.592 179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.7 t -101.09 -20.95 15.13 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 112.52 0.563 . . . . 1.71 112.52 -174.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.3 p -92.91 -12.25 31.39 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.951 0.723 . . . . 0.66000000000000003 112.951 -171.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.539 HG23 HG13 ' A' ' 56' ' ' ILE . 1.8 p -70.83 131.14 34.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-O 121.206 0.527 . . . . 0.51000000000000001 111.429 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -103.72 107.23 18.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.581 -0.736 . . . . 0.38 109.819 175.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -100.7 111.75 24.04 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.844 -0.616 . . . . 0.68000000000000005 110.984 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 1.006 ' HB2' ' HE1' ' A' ' 62' ' ' TYR . 32.7 t60 -97.98 89.79 4.68 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.406 -0.59 . . . . 1.49 109.406 176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 59.35 -99.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 123.668 0.605 . . . . 2.3599999999999999 110.602 179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 p -91.79 -1.47 57.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 111.689 -177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.691 ' HB3' ' CE2' ' A' ' 57' ' ' TYR . 43.8 mt-10 -111.14 155.3 23.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.21 -0.45 . . . . 2.5 111.689 -174.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 HG23 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -146.74 125.52 4.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 109.482 -0.562 . . . . 0.58999999999999997 109.482 175.494 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.691 ' CE2' ' HB3' ' A' ' 55' ' ' GLU . 35.9 m-85 -149.08 174.66 12.08 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.155 0.502 . . . . 1.1699999999999999 110.492 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.485 ' SG ' ' HB ' ' A' ' 60' ' ' VAL . 9.3 p -76.08 156.97 33.42 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 107.623 -1.251 . . . . 0.91000000000000003 107.623 168.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.49 ' NZ ' ' HB2' ' A' ' 59' ' ' LYS . 9.9 mtmp? -70.23 -6.53 35.35 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.632 -0.258 . . . . 1.96 111.639 -174.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.485 ' HB ' ' SG ' ' A' ' 58' ' ' CYS . 58.4 t -78.95 -53.84 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.82 -0.437 . . . . 0.84999999999999998 109.82 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.5 m -70.46 -32.92 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.311 -0.404 . . . . 0.64000000000000001 110.482 178.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 1.006 ' HE1' ' HB2' ' A' ' 52' ' ' HIS . 49.5 t80 -61.62 -42.18 98.52 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.399 -0.593 . . . . 0.93999999999999995 109.399 175.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.6 -11.59 84.32 Favored Glycine 0 C--N 1.332 0.306 0 CA-C-N 115.917 -0.583 . . . . 0.80000000000000004 112.712 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' VAL . 97.2 mtt180 -91.24 -44.03 9.46 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.362 -0.493 . . . . 3.1099999999999999 111.295 175.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.4 ttm180 -75.75 -40.05 56.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.057 0.456 . . . . 2.98 110.865 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.057 -0.52 . . . . 1.71 110.001 179.821 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_