data_1m4e_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 1m4e _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.596 HD13 ' H1 ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.816 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.895 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.895 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.831 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.838 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.764 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.446 ' HD1' ' N ' ' A' ' 11' ' ' ARG . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.549 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.638 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.838 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.764 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.608 ' H3 ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.675 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.779 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.894 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.894 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.881 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.675 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.766 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.59 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.668 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.845 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.856 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.785 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.458 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 39.2 t60 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.566 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.785 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.856 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.845 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.943 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.854 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.943 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.686 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.506 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.672 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.434 HG21 HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.875 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.934 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HD1' ' N ' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.511 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.934 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.875 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.964 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.735 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.964 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.893 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.55 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.893 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.841 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.625 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.699 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.841 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.831 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.914 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.9 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.9 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.914 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.551 ' H3 ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.643 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.786 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.643 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.856 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.69 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.826 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.826 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.856 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.69 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.919 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.633 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' HZ1' ' A' ' 13' ' ' LYS . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.919 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.782 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.892 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.892 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.782 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.456 HD11 HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.825 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.713 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.713 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.852 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.495 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 1' ' ' ILE . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.468 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.805 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.808 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.468 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.649 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.834 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.577 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.772 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.905 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.521 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.7 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.627 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.501 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.612 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.912 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.627 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.596 HD13 ' H1 ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.816 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.895 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.586 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.895 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.831 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.838 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.764 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.785 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.446 ' HD1' ' N ' ' A' ' 11' ' ' ARG . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.549 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.638 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.768 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.838 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.764 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.616 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.608 ' H3 ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.881 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.675 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.779 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.894 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.565 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.565 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.894 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.881 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.675 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.766 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.59 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.525 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.709 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.59 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.668 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.828 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.845 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.856 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.785 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.458 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 39.2 t60 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 11' ' ' ARG . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.414 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.566 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.785 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.856 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.845 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.943 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.686 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.854 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.451 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.69 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.943 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.686 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.506 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.672 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.434 HG21 HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.875 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.934 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.507 ' HD1' ' N ' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' HD2' ' N ' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.934 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.875 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.661 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.964 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.735 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.597 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.497 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.735 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.964 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.456 HD12 HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.893 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.55 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.705 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.893 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' CB ' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.831 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.841 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.625 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.625 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.699 ' HZ2' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.841 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.831 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.422 HD12 ' C ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.639 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.914 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.9 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.596 ' HB2' ' HZ3' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.767 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.9 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.914 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.551 ' H3 ' HD13 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.786 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.643 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.649 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.527 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.647 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.786 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.643 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.512 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.856 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.69 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.672 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.826 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.826 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.856 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.69 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.631 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.419 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.919 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.488 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.633 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.725 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' HA3' ' HZ1' ' A' ' 13' ' ' LYS . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.919 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.782 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.892 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.552 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.892 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.782 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.456 HD11 HG22 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.852 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.825 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.713 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.713 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.852 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.495 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.425 HD13 HG22 ' A' ' 1' ' ' ILE . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.808 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.468 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.805 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.808 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.468 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.649 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.516 HD11 HG23 ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.577 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.834 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.577 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.615 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.905 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.556 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.772 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.905 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.521 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.7 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.912 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.627 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.738 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.612 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.612 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.677 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.912 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.627 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.842 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.897 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.897 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.865 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.803 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' ' 13' ' ' LYS . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.673 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.878 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.803 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.903 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.713 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.903 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.713 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.697 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.603 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.795 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.625 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.891 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.891 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.866 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.847 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 7.5 t-80 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.446 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.869 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.866 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.972 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.722 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.408 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.972 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.722 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.511 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.913 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.938 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.938 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.913 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.994 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.611 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.531 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.744 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.994 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.561 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.925 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.58 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.709 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.925 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.856 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.634 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.844 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.856 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.938 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.938 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.671 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.877 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.719 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.877 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.719 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.945 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.907 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.907 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.945 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.594 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.81 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.626 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.815 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.846 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.49 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.655 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.564 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.552 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.653 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.842 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.897 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.897 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.865 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.803 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' ' 13' ' ' LYS . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.673 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.878 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.803 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.903 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.713 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.903 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.713 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.697 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.603 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.795 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.625 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.891 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.891 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.866 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.847 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 7.5 t-80 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.446 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.869 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.866 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.972 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.722 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.408 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.972 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.722 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.511 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.913 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.938 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.938 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.913 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.708 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.994 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.611 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.531 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.744 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.994 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.561 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.925 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.58 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.709 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.925 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.856 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.634 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.844 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.856 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.621 ' O ' HD12 ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.938 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.938 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.671 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.877 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.719 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.877 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.719 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.945 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.907 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.907 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.945 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.594 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.81 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.626 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.815 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.846 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.49 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.564 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.552 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.704 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.653 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.842 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.897 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.897 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.865 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.803 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' ' 13' ' ' LYS . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.673 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.878 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.803 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.903 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.713 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.903 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.713 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.697 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.603 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.795 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.625 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.891 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.891 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.866 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.847 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 11' ' ' ARG . 39.2 t60 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.446 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.869 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.866 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.972 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.722 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.408 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.972 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.722 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.511 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.913 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.938 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.513 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.938 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.913 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.994 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.611 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.531 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.744 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.994 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.561 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.925 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.58 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.709 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.925 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.856 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.634 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.537 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.844 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.856 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.938 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.938 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.671 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.877 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.719 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.877 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.719 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.648 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.945 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.907 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.907 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.945 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.594 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.81 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.81 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.626 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.815 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.846 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.49 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.655 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.564 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.552 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.704 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.653 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.569 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.085 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.842 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 39.3 m -59.73 141.91 54.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.412 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.865 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.1 pt -69.98 96.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.188 0.518 . . . . 0.0 111.62 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.897 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 14.9 t80 -50.34 106.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.63 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.5 80.06 6.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.708 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 3.7 t -78.39 60.39 2.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.252 0.548 . . . . 0.0 110.95 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.29 41.53 99.73 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.794 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.9 p -80.65 -53.1 6.84 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 122.019 0.914 . . . . 0.0 111.191 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.28 -56.35 1.16 Allowed 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 113.515 -1.675 . . . . 0.0 112.511 -173.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.35 -137.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.335 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.4 mmt180 -56.4 143.63 33.93 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.037 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.9 p -59.1 -35.12 72.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.168 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -61.3 128.02 34.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.674 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 75.4 m -71.53 134.98 46.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.327 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.82 133.62 2.53 Favored Glycine 0 C--N 1.334 0.426 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.396 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.897 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 22.3 ptp -51.53 137.22 24.77 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.757 0.313 . . . . 0.0 111.379 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.865 ' HB2' HG13 ' A' ' 3' ' ' ILE . 55.4 m -106.4 103.64 13.15 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-O 121.106 0.479 . . . . 0.0 110.418 179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.0 m -90.15 55.08 2.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.681 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -109.12 129.32 55.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.288 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.23 -0.89 . . . . 0.0 111.202 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.9 pt . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.878 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -62.22 135.84 57.67 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.233 0.539 . . . . 0.0 110.366 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.803 HG13 ' HB2' ' A' ' 17' ' ' CYS . 19.7 pt -75.68 96.4 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.845 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.771 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.8 t80 -45.18 93.14 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.652 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 4.7 p -91.78 120.58 32.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.45 -178.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.3 m -90.4 63.19 5.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.198 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' HA3' ' HA ' ' A' ' 12' ' ' SER . . . 73.24 49.13 16.77 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.048 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.71 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.2 p -61.68 -51.19 69.46 Favored 'General case' 0 CA--C 1.502 -0.879 0 CA-C-O 122.093 0.949 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.71 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.04 -55.45 1.19 Allowed 'General case' 0 N--CA 1.428 -1.542 0 CA-C-N 113.252 -1.795 . . . . 0.0 112.429 -174.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -81.88 -137.17 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.456 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.57 HH21 ' HG3' ' A' ' 13' ' ' LYS . 15.9 ptm180 -52.25 138.47 26.21 Favored 'General case' 0 N--CA 1.461 0.085 0 CA-C-O 120.831 0.348 . . . . 0.0 111.116 -179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.673 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 45.5 t -60.95 -34.67 75.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.334 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HG3' HH21 ' A' ' 11' ' ' ARG . 47.1 mmtm -50.22 132.69 24.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.53 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.787 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 67.5 m -63.41 144.14 57.22 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.628 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.99 135.67 3.16 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.512 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.878 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 60.6 mtm -53.0 124.12 13.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.936 0.368 . . . . 0.0 110.753 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.803 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -89.02 108.46 19.6 Favored 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -102.6 51.37 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.198 0.523 . . . . 0.0 110.967 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.613 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.1 mmpt? -78.26 134.38 37.56 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.105 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.14 179.894 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.562 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.871 0.367 . . . . 0.0 111.002 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.903 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 35.0 m -64.01 133.03 52.36 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.319 0.58 . . . . 0.0 110.675 -179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.713 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.2 pt -72.89 97.2 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.903 -178.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.776 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.9 t80 -43.96 91.61 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.857 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.469 ' N ' ' O ' ' A' ' 3' ' ' ILE . 7.8 p -91.83 123.68 35.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.513 -177.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 75.4 m -90.46 62.23 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.75 178.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.76 41.62 10.7 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.54 -0.754 . . . . 0.0 113.145 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.0 p -73.94 -51.4 16.2 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.186 0.993 . . . . 0.0 110.374 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.15 -54.72 1.19 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.096 -1.865 . . . . 0.0 112.263 -174.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -80.04 -136.88 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.196 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.579 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 10.9 tpt180 -57.0 146.64 26.38 Favored 'General case' 0 C--N 1.334 -0.076 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.812 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.6 m -60.95 -42.51 98.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.027 0.441 . . . . 0.0 110.989 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.17 140.56 55.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.972 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.914 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 66.6 m -52.35 141.25 19.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.013 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.443 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -174.01 134.74 2.94 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.913 -0.661 . . . . 0.0 111.51 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.903 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 18.9 ptm -51.37 125.2 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.781 0.324 . . . . 0.0 110.883 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.713 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.1 m -93.02 111.25 22.81 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.426 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.2 m -102.54 139.74 37.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.053 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.697 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -51.49 147.11 6.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.283 179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.137 -179.635 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.603 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.964 0.411 . . . . 0.0 111.23 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.795 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 29.7 m -71.16 131.15 43.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.556 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.625 HG13 ' HB2' ' A' ' 17' ' ' CYS . 20.8 pt -79.1 94.01 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.126 0.489 . . . . 0.0 111.492 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.891 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 20.4 t80 -44.52 99.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.683 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 2.6 p -92.65 86.05 5.45 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.078 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.6 t -81.62 58.69 3.83 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.157 0.503 . . . . 0.0 111.089 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.54 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 54.91 37.55 62.66 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.36 -0.837 . . . . 0.0 112.958 179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.724 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -78.17 -52.95 7.92 Favored 'General case' 0 CA--C 1.502 -0.867 0 CA-C-O 122.173 0.987 . . . . 0.0 110.721 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.724 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.37 -54.97 1.17 Allowed 'General case' 0 N--CA 1.427 -1.576 0 CA-C-N 113.175 -1.829 . . . . 0.0 112.149 -174.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -75.81 -135.66 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.272 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.54 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 39.0 ptt180 -54.88 141.87 31.68 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.851 0.358 . . . . 0.0 111.178 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.2 m -62.26 -38.34 88.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.796 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.1 125.46 23.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.962 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.727 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 82.8 m -74.79 130.33 39.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.725 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . 175.78 146.45 5.91 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.712 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.891 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.3 ptp -51.38 127.14 18.99 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.915 0.358 . . . . 0.0 110.579 -179.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.625 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -96.3 83.27 3.54 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.095 0.474 . . . . 0.0 110.442 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 60.7 m -67.45 136.5 54.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.195 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.96 145.83 5.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.416 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.204 -0.903 . . . . 0.0 111.149 -179.666 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.911 0.386 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.869 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 57.3 m -59.77 141.78 54.58 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.538 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.866 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.3 pt -68.92 96.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.327 0.584 . . . . 0.0 111.693 -178.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.847 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 2.9 t80 -49.68 99.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.205 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 75.5 m -87.93 108.05 19.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.396 -178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 m -90.39 59.85 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.263 0.554 . . . . 0.0 110.336 178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.41 41.35 16.84 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.48 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -73.66 -52.14 14.34 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.097 0.951 . . . . 0.0 111.0 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.71 -55.87 1.22 Allowed 'General case' 0 N--CA 1.428 -1.536 0 CA-C-N 113.379 -1.737 . . . . 0.0 112.492 -173.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 11' ' ' ARG . 39.2 t60 -77.37 -132.3 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.689 -179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.519 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 3.7 mmp_? -65.83 146.76 54.36 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.636 0.255 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.446 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 56.3 m -58.11 -35.45 71.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.499 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.571 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 7.6 mtpm? -57.62 135.75 56.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.02 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.796 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -59.19 142.53 51.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.27 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.63 124.15 1.03 Allowed Glycine 0 C--N 1.332 0.311 0 C-N-CA 121.069 -0.586 . . . . 0.0 111.912 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.869 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 80.8 mtp -54.03 132.75 43.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.785 0.326 . . . . 0.0 111.311 -179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.866 ' HB2' HG13 ' A' ' 3' ' ' ILE . 73.8 m -100.44 117.24 34.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.12 179.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.4 ' C ' ' HD3' ' A' ' 19' ' ' LYS . 37.0 m -105.76 49.75 0.8 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.298 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -110.35 130.89 55.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.05 179.735 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 78.6 p . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.059 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 35.7 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.813 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.972 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 53.4 m -60.9 135.26 57.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.314 0.578 . . . . 0.0 110.353 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.722 HG13 ' HB2' ' A' ' 17' ' ' CYS . 16.3 pt -71.7 96.44 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.199 -178.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.838 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.7 t80 -44.26 93.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.089 179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' A' ' 15' ' ' GLY . 5.5 p -92.01 120.22 32.45 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.913 -178.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 87.0 m -89.06 65.91 7.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.683 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.11 48.27 48.09 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.725 -0.67 . . . . 0.0 113.297 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.706 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.1 p -66.05 -51.23 60.05 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 122.194 0.997 . . . . 0.0 110.597 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.706 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.93 -52.78 1.22 Allowed 'General case' 0 N--CA 1.427 -1.583 0 CA-C-N 113.067 -1.879 . . . . 0.0 112.248 -174.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.408 ' HB3' ' H ' ' A' ' 11' ' ' ARG . 19.0 m80 -73.46 -142.01 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.105 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.467 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 71.3 mtt-85 -60.41 148.58 36.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.101 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 t -56.99 -32.33 65.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.642 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -54.74 130.44 40.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.708 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 6.0 t -72.48 144.38 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' O ' ' SG ' ' A' ' 5' ' ' CYS . . . -172.62 141.97 6.53 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.972 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 0.5 OUTLIER -50.88 125.66 14.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.815 0.308 . . . . 0.0 110.901 -179.483 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.722 ' HB2' HG13 ' A' ' 3' ' ' ILE . 1.2 m -92.5 112.47 24.43 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 120.849 0.357 . . . . 0.0 110.246 179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.511 ' C ' ' HD2' ' A' ' 19' ' ' LYS . 56.2 m -98.79 52.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.107 -179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -110.67 56.87 0.62 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.173 -179.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.174 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.566 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.915 0.388 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.1 m -67.38 119.58 12.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.493 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.913 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.6 pt -80.25 93.7 2.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.092 0.473 . . . . 0.0 110.929 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.938 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.9 t80 -46.34 106.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.728 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 74.6 m -90.43 75.79 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.759 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -79.43 59.09 2.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.225 0.536 . . . . 0.0 111.094 -179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.55 40.78 92.93 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 115.369 -0.832 . . . . 0.0 112.75 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.718 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.7 p -77.63 -53.14 7.92 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 121.982 0.896 . . . . 0.0 111.207 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.718 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.46 -58.08 1.12 Allowed 'General case' 0 N--CA 1.428 -1.528 0 CA-C-N 113.645 -1.616 . . . . 0.0 112.995 -173.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.421 ' HB3' ' HD2' ' A' ' 11' ' ' ARG . 17.2 t-80 -75.8 -128.88 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.277 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.513 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -53.99 143.73 21.04 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 111.482 -179.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.2 t -64.68 -40.98 96.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.765 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 12.7 mptt -63.16 132.17 50.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.02 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.654 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 78.9 m -71.52 137.02 47.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.61 129.34 1.58 Allowed Glycine 0 C--N 1.334 0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.938 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 76.7 mtp -55.23 130.32 41.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.688 0.28 . . . . 0.0 110.943 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.913 ' HB2' HG13 ' A' ' 3' ' ' ILE . 92.7 m -103.44 80.52 1.82 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.212 0.529 . . . . 0.0 110.738 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 79.3 m -60.8 134.96 57.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.306 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.603 ' N ' ' HE3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -50.51 140.84 13.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.547 -179.477 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.208 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 121.034 0.445 . . . . 0.0 111.378 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.694 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 36.0 m -61.37 136.54 58.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.301 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.994 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.6 pt -74.53 95.4 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 111.715 -179.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.744 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 7.4 t80 -50.27 102.79 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.236 179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -90.0 103.47 16.13 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.8 m -91.18 58.14 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.151 0.501 . . . . 0.0 110.741 178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.611 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 69.38 51.33 27.28 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-N 115.498 -0.774 . . . . 0.0 112.997 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -64.15 -52.51 58.7 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-O 121.961 0.886 . . . . 0.0 111.19 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.717 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.21 -64.82 0.89 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.599 -1.637 . . . . 0.0 112.631 -174.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -84.07 -122.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.523 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.611 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 79.0 mtp180 -45.15 125.81 5.63 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.88 0.371 . . . . 0.0 111.582 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.531 ' HA ' ' HA3' ' A' ' 7' ' ' GLY . 47.5 t -68.66 -34.79 76.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.102 179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -55.71 131.24 46.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.0 m -62.42 140.9 58.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.925 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 127.2 1.33 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.294 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.744 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 3.1 mpp? -53.01 131.45 36.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.736 0.303 . . . . 0.0 111.135 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.994 ' HB2' HG13 ' A' ' 3' ' ' ILE . 66.5 m -103.55 89.1 3.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.306 179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.12 178.06 7.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.736 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -54.1 129.42 34.57 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.084 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.3 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.235 -0.888 . . . . 0.0 111.073 -179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.561 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.773 0.32 . . . . 0.0 111.065 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 25.4 m -59.87 129.07 40.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.208 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.925 HG13 ' HB2' ' A' ' 17' ' ' CYS . 18.0 pt -71.65 96.49 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.617 . . . . 0.0 111.527 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 1.3 t80 -50.89 98.99 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.155 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.552 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 88.9 m -82.82 96.7 8.3 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.002 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 54.0 m -86.34 64.19 8.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.195 0.521 . . . . 0.0 111.236 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.553 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 63.35 47.4 88.02 Favored Glycine 0 N--CA 1.452 -0.26 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.777 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -68.11 -52.98 28.77 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.913 0.863 . . . . 0.0 111.244 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.6 -57.13 1.13 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.555 -1.657 . . . . 0.0 112.849 -173.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 11' ' ' ARG . 13.0 t-160 -79.63 -130.45 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.58 HH21 ' HD3' ' A' ' 13' ' ' LYS . 52.2 mtp85 -53.24 139.3 29.83 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-O 120.856 0.36 . . . . 0.0 111.575 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 t -63.41 -36.4 83.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.64 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HD3' HH21 ' A' ' 11' ' ' ARG . 28.6 mtpp -58.18 130.72 47.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.549 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 8.9 t -69.72 144.23 52.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.273 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -167.69 131.48 2.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.119 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.709 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 62.3 mtm -53.04 133.52 38.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.925 ' HB2' HG13 ' A' ' 3' ' ' ILE . 93.0 m -111.48 84.42 1.94 Allowed 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.076 178.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.6 m -65.96 155.36 36.77 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.05 -179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -29.86 -45.09 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.483 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.6 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.239 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.484 1.253 0 CA-C-O 120.889 0.375 . . . . 0.0 111.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 28.4 m -66.11 124.67 23.22 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.507 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.856 HG13 ' HB2' ' A' ' 17' ' ' CYS . 21.7 pt -76.69 94.93 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.314 0.578 . . . . 0.0 111.406 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.844 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 3.3 t80 -47.52 105.46 0.07 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 99.8 m -90.06 95.86 10.41 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 8.7 m -91.12 68.04 6.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.01 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.634 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 80.6 53.22 4.12 Favored Glycine 0 N--CA 1.453 -0.201 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.305 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.713 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -62.59 -51.69 66.34 Favored 'General case' 0 CA--C 1.504 -0.793 0 CA-C-O 121.662 0.744 . . . . 0.0 111.943 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.713 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.64 -66.23 0.85 Allowed 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 114.016 -1.447 . . . . 0.0 113.434 -173.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -120.84 -52.95 2.09 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.634 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 5.9 tpm_? -59.42 112.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.84 0.353 . . . . 0.0 110.689 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.7 p -71.28 -42.19 69.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' NZ ' ' HB3' ' A' ' 13' ' ' LYS . 8.4 mtpm? -61.12 131.49 50.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.143 -179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 98.6 m -62.4 142.05 58.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.779 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -164.98 121.73 1.03 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.025 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.844 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 23.1 ptp -55.35 131.36 45.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.856 ' HB2' HG13 ' A' ' 3' ' ' ILE . 86.0 m -104.23 83.05 2.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.389 179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.17 140.28 58.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.368 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -44.77 134.33 5.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.162 -179.44 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.9 m . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.159 -0.924 . . . . 0.0 111.141 -179.666 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 1' ' ' ILE . 2.8 pp . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.896 0.379 . . . . 0.0 111.245 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.668 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 16.7 m -59.62 136.93 58.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.252 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.938 HG13 ' HB2' ' A' ' 17' ' ' CYS . 4.7 pt -75.47 94.63 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-O 121.149 0.5 . . . . 0.0 111.246 -179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.901 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.7 t80 -50.54 104.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.35 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 73.9 m -88.2 72.31 9.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.038 -179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.9 t -83.22 58.21 4.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.336 0.589 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.413 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 57.9 38.67 89.69 Favored Glycine 0 N--CA 1.451 -0.33 0 CA-C-N 115.283 -0.872 . . . . 0.0 112.86 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.721 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.2 p -78.88 -52.84 7.75 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-O 122.106 0.955 . . . . 0.0 110.941 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.721 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.23 -56.63 1.16 Allowed 'General case' 0 N--CA 1.428 -1.556 0 CA-C-N 113.353 -1.749 . . . . 0.0 112.101 -174.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -74.64 -137.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.11 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 37.6 mmt180 -58.55 143.94 44.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 111.068 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.0 m -60.53 -33.48 72.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.754 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 10.1 mtmp? -56.58 126.44 26.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.774 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.4 m -79.28 132.11 36.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.247 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.66 132.35 1.78 Allowed Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.284 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.901 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 81.7 mtp -53.62 132.27 40.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.677 0.275 . . . . 0.0 110.995 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.938 ' HB2' HG13 ' A' ' 3' ' ' ILE . 83.3 m -104.31 87.15 2.67 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.084 0.469 . . . . 0.0 110.418 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.9 m -71.63 159.06 35.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.679 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.2 pttm -32.08 135.19 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.593 -1.185 . . . . 0.0 112.058 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.3 m . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.163 -0.922 . . . . 0.0 111.05 179.759 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.554 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.821 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.9 m -66.42 130.09 42.04 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.671 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.0 pt -66.85 97.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.368 0.604 . . . . 0.0 110.365 179.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.648 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 6.3 t80 -49.74 104.65 0.07 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.513 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.7 m -88.93 99.29 12.29 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.038 -178.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 1.3 m -90.14 60.48 4.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.176 0.512 . . . . 0.0 110.959 178.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.542 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 65.92 39.33 94.9 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.439 -0.801 . . . . 0.0 113.018 179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -75.54 -51.56 12.64 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 122.172 0.987 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.96 -54.31 1.21 Allowed 'General case' 0 N--CA 1.428 -1.548 0 CA-C-N 113.198 -1.819 . . . . 0.0 112.108 -174.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -75.26 -138.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.824 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 9.6 mpt_? -60.28 145.73 46.46 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.716 0.293 . . . . 0.0 110.838 179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.7 t -58.83 -37.62 76.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.718 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 55.7 mtpt -62.98 134.21 55.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 77.2 m -59.94 142.97 52.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.031 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.18 126.38 1.27 Allowed Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.405 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.821 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 3.1 mpp? -54.55 139.07 39.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.669 0.271 . . . . 0.0 111.155 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.671 ' HB2' HG13 ' A' ' 3' ' ' ILE . 84.5 m -123.55 120.96 34.4 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.877 0.37 . . . . 0.0 111.884 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -121.38 142.81 49.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -40.23 138.17 0.91 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.28 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.7 p . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.13 -179.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 34.0 pt . . . . . 0 N--CA 1.485 1.28 0 CA-C-O 120.824 0.345 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.877 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 60.8 m -70.46 128.08 34.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.509 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.719 HG13 ' HB2' ' A' ' 17' ' ' CYS . 23.5 pt -61.56 98.52 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.317 0.58 . . . . 0.0 110.26 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.671 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 0.9 OUTLIER -53.09 94.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.475 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 79.6 m -75.02 104.85 5.76 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.877 -0.601 . . . . 0.0 112.032 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 56.5 m -86.63 68.76 10.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.994 0.426 . . . . 0.0 111.446 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.495 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 78.5 44.94 10.17 Favored Glycine 0 C--N 1.33 0.221 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.962 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.703 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 15.3 p -72.08 -51.52 21.17 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 122.139 0.971 . . . . 0.0 110.822 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.703 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.05 -55.5 1.19 Allowed 'General case' 0 N--CA 1.429 -1.515 0 CA-C-N 113.223 -1.808 . . . . 0.0 112.219 -174.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -74.87 -140.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.923 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 84.5 mtm180 -62.13 154.25 27.7 Favored 'General case' 0 CA--C 1.521 -0.137 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.65 179.622 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.8 p -57.01 -32.05 65.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.379 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 13' ' ' LYS . 50.1 mtpt -55.4 140.11 40.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.318 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.83 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 56.9 m -63.66 147.15 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.959 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -159.78 120.21 0.94 Allowed Glycine 0 N--CA 1.452 -0.254 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.669 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.877 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.1 ptp -52.05 137.98 26.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.069 0.461 . . . . 0.0 112.13 -178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.719 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.3 m -129.77 122.36 28.68 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.875 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -116.14 145.92 42.68 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.76 0.314 . . . . 0.0 111.114 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.648 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -43.18 142.35 1.03 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.975 -179.358 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.3 -0.857 . . . . 0.0 111.08 -179.711 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 33.1 pt . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' CB ' ' HB3' ' A' ' 16' ' ' MET . 33.5 m -65.44 120.94 13.75 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.57 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.945 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.3 pt -79.98 93.64 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 CA-C-O 121.056 0.455 . . . . 0.0 110.934 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.907 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.0 t80 -47.78 105.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.701 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 72.0 m -89.11 73.98 8.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.889 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 7.8 t -84.97 60.28 6.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.216 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.423 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . 60.22 40.68 97.64 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.914 179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -66.77 -73.95 0.12 Allowed 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 122.532 1.158 . . . . 0.0 111.685 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.1 OUTLIER -127.59 -46.66 1.44 Allowed 'General case' 0 N--CA 1.429 -1.479 0 CA-C-N 112.526 -2.124 . . . . 0.0 111.611 -174.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -74.76 -128.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.996 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.523 ' HG3' ' HG3' ' A' ' 13' ' ' LYS . 24.3 tpt180 -60.06 147.27 39.88 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.845 0.355 . . . . 0.0 111.098 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 67.1 m -69.73 -40.57 76.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.102 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.636 ' HD3' ' O ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -56.73 138.49 52.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.998 0.427 . . . . 0.0 111.331 -179.247 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.8 m -86.1 132.06 34.12 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.956 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.61 133.31 2.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.263 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.907 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 68.6 mtm -54.47 129.47 36.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 111.053 -179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.945 ' HB2' HG13 ' A' ' 3' ' ' ILE . 67.9 m -99.33 80.87 2.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.221 0.534 . . . . 0.0 110.568 179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -68.42 152.41 45.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.014 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.55 133.98 12.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.199 -179.648 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 73.7 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.196 -0.907 . . . . 0.0 111.18 -179.935 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.594 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.972 0.415 . . . . 0.0 111.177 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 18' ' ' CYS . 21.2 m -68.96 119.95 14.08 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.516 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.81 HG13 ' HB2' ' A' ' 17' ' ' CYS . 22.5 pt -75.61 95.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.337 0.589 . . . . 0.0 111.12 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.894 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 13.8 t80 -47.88 106.78 0.1 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.406 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 88.0 m -89.98 72.15 7.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.085 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.8 t -81.05 60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.88 33.07 81.96 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.546 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.708 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.8 p -84.06 -51.66 6.92 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-O 122.219 1.009 . . . . 0.0 111.005 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.708 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.7 -53.36 1.24 Allowed 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.228 -1.805 . . . . 0.0 112.396 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -73.15 -142.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.003 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.449 ' HG3' HH11 ' A' ' 11' ' ' ARG . 37.2 ttt85 -62.75 156.9 22.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.822 0.344 . . . . 0.0 110.727 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.6 m -58.29 -39.25 78.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.134 -179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.557 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -60.35 136.66 58.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.901 -179.708 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.3 m -81.43 134.67 35.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.101 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.93 132.11 1.9 Allowed Glycine 0 C--N 1.333 0.367 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.281 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HA ' ' HA ' ' A' ' 4' ' ' PHE . 63.3 mtm -53.99 135.73 42.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 111.361 -179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.81 ' HB2' HG13 ' A' ' 3' ' ' ILE . 87.6 m -110.49 81.47 1.44 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.198 0.523 . . . . 0.0 110.501 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.475 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 61.0 m -60.42 139.37 57.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.257 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.626 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -49.88 153.02 1.4 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.613 -179.849 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.5 m . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.222 -0.895 . . . . 0.0 111.014 -179.838 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.588 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.295 0 CA-C-O 120.88 0.371 . . . . 0.0 111.199 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.894 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 72.5 m -60.0 134.88 57.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.128 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 26.1 pt -62.71 97.63 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 CA-C-O 121.355 0.597 . . . . 0.0 110.102 179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.8 t80 -50.76 104.95 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.577 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.7 m -81.8 65.66 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.193 -179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -82.53 63.66 6.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.17 35.1 76.88 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.115 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.561 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -74.32 -75.12 0.17 Allowed 'General case' 0 CA--C 1.505 -0.787 0 CA-C-O 122.428 1.108 . . . . 0.0 112.196 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.561 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -127.32 -49.9 1.42 Allowed 'General case' 0 N--CA 1.43 -1.473 0 CA-C-N 112.74 -2.027 . . . . 0.0 112.129 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -71.96 -137.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.9 ptp180 -57.82 144.79 37.34 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -60.7 -36.73 79.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.473 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -59.91 131.49 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 72.9 m -71.98 132.79 44.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.28 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' CYS . . . -177.65 130.22 1.57 Allowed Glycine 0 C--N 1.334 0.421 0 C-N-CA 120.833 -0.698 . . . . 0.0 112.439 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.894 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.4 mtm -52.99 144.37 15.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.85 0.357 . . . . 0.0 111.537 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.515 ' O ' HG12 ' A' ' 3' ' ' ILE . 60.6 m -133.67 129.0 36.21 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.472 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -120.26 173.48 7.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 111.139 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -54.94 139.74 39.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.184 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.5 m . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.012 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 31.7 pt . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.924 0.392 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 58.9 m -81.7 127.99 33.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.72 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -70.33 98.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-O 121.037 0.446 . . . . 0.0 109.998 178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.815 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.2 t80 -46.93 105.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.147 -179.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.471 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 76.0 m -84.24 70.28 10.56 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.91 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.1 t -81.03 60.69 4.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.207 0.527 . . . . 0.0 110.947 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.95 38.86 96.15 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.461 -0.79 . . . . 0.0 112.674 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.715 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.1 p -94.43 -52.48 4.31 Favored 'General case' 0 CA--C 1.503 -0.829 0 CA-C-O 122.003 0.906 . . . . 0.0 111.169 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -129.22 -56.8 1.16 Allowed 'General case' 0 N--CA 1.429 -1.51 0 CA-C-N 113.438 -1.71 . . . . 0.0 112.64 -173.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -74.98 -139.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.311 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -57.85 147.93 26.94 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.099 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.0 p -58.74 -37.74 76.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.329 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -63.45 128.24 34.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.587 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.71 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.9 m -68.69 131.07 44.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.041 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.06 131.28 1.85 Allowed Glycine 0 C--N 1.333 0.402 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.703 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.846 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 67.7 mtm -52.75 138.51 28.89 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.696 0.284 . . . . 0.0 111.405 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.49 ' HB2' HG13 ' A' ' 3' ' ' ILE . 63.7 m -125.41 127.18 46.15 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.733 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 m -119.96 145.92 46.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.826 178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.655 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -47.65 145.48 2.68 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.423 -179.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.132 -179.486 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.564 HD13 ' N ' ' A' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.938 0.399 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 59.2 m -59.85 136.78 58.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB2' ' A' ' 17' ' ' CYS . 5.1 pt -67.52 96.96 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 121.171 0.51 . . . . 0.0 110.163 178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.846 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 10.6 t80 -48.83 107.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.991 -179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.6 m -86.25 69.04 10.43 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.809 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 5.4 t -80.67 61.19 4.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.903 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.16 41.93 99.63 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.889 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.716 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.4 p -74.46 -52.45 11.96 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-O 121.944 0.878 . . . . 0.0 111.236 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.716 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.84 -56.52 1.2 Allowed 'General case' 0 N--CA 1.429 -1.494 0 CA-C-N 113.529 -1.669 . . . . 0.0 112.492 -173.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -73.27 -141.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.88 151.32 30.38 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.01 0.433 . . . . 0.0 111.17 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.8 p -59.12 -30.49 68.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.149 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -50.59 123.58 9.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.331 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.665 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 71.7 m -83.66 133.89 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.941 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.01 131.19 1.84 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.656 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 66.2 mtm -53.25 143.11 19.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.412 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.601 ' HB2' HG13 ' A' ' 3' ' ' ILE . 75.6 m -128.16 126.89 41.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.525 -179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 m -120.8 53.49 1.12 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.007 0.432 . . . . 0.0 111.24 179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 11.3 mmpt? -84.11 134.32 34.6 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.857 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.125 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 32.5 pt . . . . . 0 N--CA 1.483 1.205 0 CA-C-O 120.787 0.327 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.941 ' HB2' ' HB3' ' A' ' 16' ' ' MET . 60.8 m -61.74 133.53 55.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.045 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.576 ' O ' HG13 ' A' ' 3' ' ' ILE . 25.6 pt -62.96 97.73 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.246 0.546 . . . . 0.0 110.011 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.778 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 12.8 t80 -49.46 107.36 0.14 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.739 -179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 71.3 m -87.58 70.64 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.218 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 4.3 t -80.71 63.21 5.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.28 40.32 98.86 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.02 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.712 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 13.8 p -76.96 -52.55 9.2 Favored 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.728 0.775 . . . . 0.0 111.796 -179.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.712 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.8 m -128.91 -64.75 0.9 Allowed 'General case' 0 N--CA 1.429 -1.48 0 CA-C-N 113.883 -1.508 . . . . 0.0 113.412 -173.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.61 -135.13 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -45.93 139.18 4.46 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.889 0.376 . . . . 0.0 111.075 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -62.17 -37.72 86.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.227 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -51.45 126.01 16.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.929 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 76.7 m -74.04 135.51 43.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.016 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.21 131.87 1.97 Allowed Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.559 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.941 ' HB3' ' HB2' ' A' ' 2' ' ' CYS . 59.3 mtm -53.23 143.61 17.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.726 0.298 . . . . 0.0 111.374 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.552 ' HB2' HG13 ' A' ' 3' ' ' ILE . 72.8 m -129.33 126.86 39.89 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -120.13 46.42 1.96 Allowed 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.259 0.552 . . . . 0.0 110.954 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.704 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 7.5 mptt -111.49 127.35 55.67 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.946 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.063 -179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.9 pt . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.796 0.332 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.928 ' HB2' ' HB2' ' A' ' 16' ' ' MET . 61.7 m -63.01 135.47 57.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.739 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.653 HG13 ' HB2' ' A' ' 17' ' ' CYS . 25.1 pt -62.67 97.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.305 0.574 . . . . 0.0 110.285 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.743 ' HA ' ' HA ' ' A' ' 16' ' ' MET . 11.1 t80 -52.13 100.38 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.589 -179.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' O ' ' HA ' ' A' ' 14' ' ' CYS . 84.5 m -74.37 71.68 1.78 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.679 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 0.1 OUTLIER -75.67 160.96 29.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.201 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.624 ' HA2' ' O ' ' A' ' 11' ' ' ARG . . . -73.77 43.91 1.2 Allowed Glycine 0 C--N 1.332 0.307 0 C-N-CA 121.007 -0.616 . . . . 0.0 113.667 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.714 ' SG ' ' N ' ' A' ' 9' ' ' CYS . 14.3 p -75.72 -52.55 10.21 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-O 121.988 0.899 . . . . 0.0 110.832 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.714 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.7 m -129.47 -62.49 0.97 Allowed 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 113.417 -1.719 . . . . 0.0 112.584 -174.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.58 ' HD1' ' H ' ' A' ' 10' ' ' HIS . 13.8 p-80 -79.43 -126.77 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.448 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.624 ' O ' ' HA2' ' A' ' 7' ' ' GLY . 60.2 mtt85 -43.79 131.73 5.34 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.877 0.37 . . . . 0.0 111.489 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.4 m -66.7 -40.34 88.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -77.9 126.51 30.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.133 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 6' ' ' CYS . 79.8 m -75.49 133.78 40.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.653 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.54 128.67 1.53 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.524 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' CYS . 23.7 ptp -50.55 140.02 14.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.724 0.297 . . . . 0.0 111.407 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' A' ' 3' ' ' ILE . 71.9 m -129.11 124.67 35.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.63 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -121.39 149.72 42.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.983 178.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -41.6 139.29 1.17 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.335 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.233 -179.977 . . . . . . . . 0 0 . 1 stop_ save_