data_1cxn_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 1cxn _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 full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.69 168.24 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -154.37 141.87 19.75 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 117.121 -1.832 . . . . 0.0 112.261 179.711 -58.577 141.011 86.176 100.586 2.015 101.228 146.466 -58.722 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.512 ' H ' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -76.17 146.54 39.1 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.04 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.506 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.51 -118.47 0.06 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' H ' ' HG3' ' A' ' 5' ' ' GLN . 82.5 mt -64.35 -113.16 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.31 -51.79 0.07 OUTLIER Pre-proline 0 N--CA 1.494 1.757 1 N-CA-C 124.002 4.816 . . . . 0.0 124.002 -179.17 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.425 ' O ' ' CD1' ' A' ' 10' ' ' PHE . 72.5 Cg_endo -65.03 164.26 25.64 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 CA-C-N 122.733 2.012 . . . . 0.0 107.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.46 75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 118.182 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CD1' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -147.6 86.13 1.59 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 124.207 1.956 . . . . 0.0 114.666 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -105.38 179.8 4.16 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 111.374 -2.648 . . . . 0.0 109.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -155.77 152.48 28.54 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.877 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -80.87 127.36 32.45 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 78.7 m -76.16 146.83 79.04 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 118.195 -1.402 . . . . 0.0 112.168 -179.8 -59.018 -50.745 -73.24 103.109 2.021 103.416 -92.445 -67.434 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.87 156.3 52.74 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 123.012 2.475 . . . . 0.0 112.796 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -52.14 143.9 13.41 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.206 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.38 -55.25 1.49 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 104.93 -3.268 . . . . 0.0 104.93 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -88.17 67.39 8.8 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -84.21 23.93 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.178 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.3 173.49 11.67 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 73.9 m -148.16 -173.6 4.36 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.419 -179.923 -58.722 146.466 86.176 101.228 2.015 100.586 141.011 -58.577 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -160.02 -179.74 8.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.361 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -153.96 99.71 2.29 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.797 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.9 mtt -83.98 98.55 9.88 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.839 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -94.37 157.35 16.06 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.416 ' SD ' HG23 ' A' ' 34' ' ' VAL . 56.8 mtp -98.67 129.24 45.15 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HE ' ' HB2' ' A' ' 50' ' ' LYS . 99.9 mtt180 -79.01 -22.42 45.5 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 126.989 2.681 . . . . 0.0 108.609 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.04 83.35 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.419 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . . . -94.71 -172.5 0.3 Allowed Pre-proline 0 C--N 1.302 -1.481 1 N-CA-C 98.615 -4.587 . . . . 0.0 98.615 179.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 29' ' ' ALA . 47.2 Cg_endo -61.2 -70.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 CA-C-N 123.062 2.129 . . . . 0.0 110.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.2 mtm -155.75 65.63 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.8 t -76.72 112.13 20.25 Favored Pre-proline 0 N--CA 1.5 2.075 0 C-N-CA 118.155 -1.418 . . . . 0.0 112.385 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -66.61 96.23 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.215 1.943 . . . . 0.0 114.397 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.416 HG23 ' SD ' ' A' ' 26' ' ' MET . 91.6 t -90.88 -70.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.81 159.94 14.73 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -166.99 134.16 2.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 125.829 1.956 . . . . 0.0 106.293 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.5 -171.69 41.24 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 117.235 -2.412 . . . . 0.0 113.69 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.4 m -95.86 123.13 39.31 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -179.979 -67.434 -92.445 -73.24 103.416 2.021 103.109 -50.745 -59.018 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 43.6 pt -134.62 -157.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 122.778 1.275 . . . . 0.0 109.614 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.92 -62.63 1.38 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -147.59 152.42 12.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 117.342 -1.743 . . . . 0.0 110.787 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 51' ' ' TYR . 0.0 OUTLIER -61.23 134.38 93.17 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-N 112.615 -2.084 . . . . 0.0 115.585 -179.504 -123.797 62.225 74.005 95.207 2.015 102.501 108.322 -64.623 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.42 -168.03 0.58 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 N-CA-C 106.318 -2.224 . . . . 0.0 106.318 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.07 110.22 8.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.891 -1.124 . . . . 0.0 112.248 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.465 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 60.5 m -60.82 135.74 57.87 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.917 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -87.25 152.65 22.12 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.343 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.79 -29.31 66.74 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.242 -0.983 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -86.25 -21.12 27.57 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.836 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mp -139.36 130.42 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 CA-C-O 122.747 1.261 . . . . 0.0 112.157 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 88.0 tttt -93.39 126.45 38.53 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' CD2' ' HA ' ' A' ' 45' ' ' SER . 12.6 m-30 -101.21 105.83 16.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.5 ttm -90.84 86.87 6.44 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.564 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 87.4 m -94.92 153.03 17.87 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 114.574 -1.194 . . . . 0.0 113.074 -179.913 -64.623 108.322 74.005 102.501 2.015 95.207 62.225 -123.797 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 p -156.07 -176.05 5.75 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 179.894 84.748 -122.397 -90.748 106.804 2.017 102.987 -149.49 78.993 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.26 -20.62 10.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.9 136.85 32.79 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 119.725 3.231 . . . . 0.0 119.725 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 59' ' ' CYS . 7.7 m-20 -53.09 154.96 2.74 Favored 'General case' 0 C--N 1.298 -1.65 1 CA-C-N 107.983 -4.189 . . . . 0.0 106.932 -179.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 67.6 -24.75 0.12 Allowed 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.454 ' H ' ' C ' ' A' ' 57' ' ' ASP . 10.2 p -44.72 -31.48 1.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.105 -179.617 78.993 -149.49 -90.748 102.987 2.017 106.804 -122.397 84.748 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.685 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.69 168.24 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -154.37 141.87 19.75 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 117.121 -1.832 . . . . 0.0 112.261 179.711 -58.577 141.011 86.176 100.586 2.015 101.228 146.466 -58.722 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -76.17 146.54 39.1 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.04 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.59 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 7.5 pt20 -89.51 -118.47 0.06 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.59 ' H ' ' HG3' ' A' ' 5' ' ' GLN . 82.5 mt -64.35 -113.16 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.45 HD12 ' H ' ' A' ' 7' ' ' ILE . 0.3 OUTLIER -109.31 -51.79 0.07 OUTLIER Pre-proline 0 N--CA 1.494 1.757 1 N-CA-C 124.002 4.816 . . . . 0.0 124.002 -179.17 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD2' HD12 ' A' ' 7' ' ' ILE . 72.5 Cg_endo -65.03 164.26 25.64 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 CA-C-N 122.733 2.012 . . . . 0.0 107.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.46 75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 118.182 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CD1' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -147.6 86.13 1.59 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 124.207 1.956 . . . . 0.0 114.666 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -105.38 179.8 4.16 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 111.374 -2.648 . . . . 0.0 109.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -155.77 152.48 28.54 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.877 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -80.87 127.36 32.45 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 78.7 m -76.16 146.83 79.04 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 118.195 -1.402 . . . . 0.0 112.168 -179.8 -59.018 -50.745 -73.24 103.109 2.021 103.416 -92.445 -67.434 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.87 156.3 52.74 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 123.012 2.475 . . . . 0.0 112.796 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -52.14 143.9 13.41 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.206 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.38 -55.25 1.49 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 104.93 -3.268 . . . . 0.0 104.93 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -88.17 67.39 8.8 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -84.21 23.93 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.178 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.3 173.49 11.67 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 73.9 m -148.16 -173.6 4.36 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.419 -179.923 -58.722 146.466 86.176 101.228 2.015 100.586 141.011 -58.577 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 39' ' ' ILE . 45.2 p90 -160.02 -179.74 8.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.361 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -153.96 99.71 2.29 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.797 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 mtt -83.98 98.55 9.88 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.839 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -94.37 157.35 16.06 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 34' ' ' VAL . 56.8 mtp -98.67 129.24 45.15 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' HE ' ' HB2' ' A' ' 50' ' ' LYS . 99.9 mtt180 -79.01 -22.42 45.5 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 126.989 2.681 . . . . 0.0 108.609 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.04 83.35 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 30' ' ' PRO . . . -94.71 -172.5 0.3 Allowed Pre-proline 0 C--N 1.302 -1.481 1 N-CA-C 98.615 -4.587 . . . . 0.0 98.615 179.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 29' ' ' ALA . 47.2 Cg_endo -61.2 -70.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 CA-C-N 123.062 2.129 . . . . 0.0 110.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.2 mtm -155.75 65.63 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.8 t -76.72 112.13 20.25 Favored Pre-proline 0 N--CA 1.5 2.075 0 C-N-CA 118.155 -1.418 . . . . 0.0 112.385 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -66.61 96.23 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.215 1.943 . . . . 0.0 114.397 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 26' ' ' MET . 91.6 t -90.88 -70.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.81 159.94 14.73 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -166.99 134.16 2.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 125.829 1.956 . . . . 0.0 106.293 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.5 -171.69 41.24 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 117.235 -2.412 . . . . 0.0 113.69 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.4 m -95.86 123.13 39.31 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -179.979 -67.434 -92.445 -73.24 103.416 2.021 103.109 -50.745 -59.018 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' A' ' 22' ' ' TYR . 43.6 pt -134.62 -157.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 122.778 1.275 . . . . 0.0 109.614 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.92 -62.63 1.38 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' CYS . 7.4 p -147.59 152.42 12.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 117.342 -1.743 . . . . 0.0 110.787 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -61.23 134.38 93.17 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-N 112.615 -2.084 . . . . 0.0 115.585 -179.504 -123.797 62.225 74.005 95.207 2.015 102.501 108.322 -64.623 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.42 -168.03 0.58 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 N-CA-C 106.318 -2.224 . . . . 0.0 106.318 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.07 110.22 8.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.891 -1.124 . . . . 0.0 112.248 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 60.5 m -60.82 135.74 57.87 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.917 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -87.25 152.65 22.12 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.343 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.79 -29.31 66.74 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.242 -0.983 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 48' ' ' LEU . 3.5 mm? -86.25 -21.12 27.57 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.836 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mp -139.36 130.42 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 CA-C-O 122.747 1.261 . . . . 0.0 112.157 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 88.0 tttt -93.39 126.45 38.53 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 45' ' ' SER . 12.6 m-30 -101.21 105.83 16.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.5 ttm -90.84 86.87 6.44 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.564 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 22' ' ' TYR . 87.4 m -94.92 153.03 17.87 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 114.574 -1.194 . . . . 0.0 113.074 -179.913 -64.623 108.322 74.005 102.501 2.015 95.207 62.225 -123.797 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 p -156.07 -176.05 5.75 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 179.894 84.748 -122.397 -90.748 106.804 2.017 102.987 -149.49 78.993 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -115.26 -20.62 10.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.9 136.85 32.79 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 119.725 3.231 . . . . 0.0 119.725 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.09 154.96 2.74 Favored 'General case' 0 C--N 1.298 -1.65 1 CA-C-N 107.983 -4.189 . . . . 0.0 106.932 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 67.6 -24.75 0.12 Allowed 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.2 p -44.72 -31.48 1.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.105 -179.617 78.993 -149.49 -90.748 102.987 2.017 106.804 -122.397 84.748 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.685 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.454 0 N-CA-C 105.509 -2.034 . . . . 0.0 105.509 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.0 pttp -146.69 168.24 21.82 Favored 'General case' 0 N--CA 1.489 1.499 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -154.37 141.87 19.75 Favored 'General case' 0 C--N 1.301 -1.505 0 C-N-CA 117.121 -1.832 . . . . 0.0 112.261 179.711 -58.577 141.011 86.176 100.586 2.015 101.228 146.466 -58.722 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.633 HD22 ' H ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -76.17 146.54 39.1 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 118.8 -1.16 . . . . 0.0 110.04 179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.59 ' HG3' ' H ' ' A' ' 6' ' ' LEU . 1.0 OUTLIER -89.51 -118.47 0.06 Allowed 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 103.681 -2.711 . . . . 0.0 103.681 179.558 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.59 ' H ' ' HG3' ' A' ' 5' ' ' GLN . 82.5 mt -64.35 -113.16 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 119.958 3.318 . . . . 0.0 119.958 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -109.31 -51.79 0.07 OUTLIER Pre-proline 0 N--CA 1.494 1.757 1 N-CA-C 124.002 4.816 . . . . 0.0 124.002 -179.17 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.448 ' HD2' HD12 ' A' ' 7' ' ' ILE . 72.5 Cg_endo -65.03 164.26 25.64 Favored 'Trans proline' 0 C--N 1.309 -1.527 0 CA-C-N 122.733 2.012 . . . . 0.0 107.904 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -51.46 75.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.016 2.477 . . . . 0.0 118.182 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.51 ' CD1' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -147.6 86.13 1.59 Allowed 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 124.207 1.956 . . . . 0.0 114.666 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -105.38 179.8 4.16 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 111.374 -2.648 . . . . 0.0 109.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -155.77 152.48 28.54 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.877 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 29.5 m -80.87 127.36 32.45 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 21' ' ' CYS . 78.7 m -76.16 146.83 79.04 Favored Pre-proline 0 C--N 1.301 -1.505 0 C-N-CA 118.195 -1.402 . . . . 0.0 112.168 -179.8 -59.018 -50.745 -73.24 103.109 2.021 103.416 -92.445 -67.434 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -72.87 156.3 52.74 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 123.012 2.475 . . . . 0.0 112.796 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -52.14 143.9 13.41 Favored 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 114.074 -1.421 . . . . 0.0 109.206 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.38 -55.25 1.49 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 104.93 -3.268 . . . . 0.0 104.93 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -88.17 67.39 8.8 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -84.21 23.93 1.01 Allowed 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.178 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -135.3 173.49 11.67 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.614 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 73.9 m -148.16 -173.6 4.36 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.419 -179.923 -58.722 146.466 86.176 101.228 2.015 100.586 141.011 -58.577 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' A' ' 39' ' ' ILE . 45.2 p90 -160.02 -179.74 8.05 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.361 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -153.96 99.71 2.29 Favored 'General case' 0 C--N 1.306 -1.288 0 CA-C-N 112.345 -2.207 . . . . 0.0 108.797 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.429 ' HG3' ' CD2' ' A' ' 22' ' ' TYR . 7.9 mtt -83.98 98.55 9.88 Favored 'General case' 0 N--CA 1.49 1.575 0 C-N-CA 119.783 -0.767 . . . . 0.0 111.839 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.5 p -94.37 157.35 16.06 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.43 ' SD ' HG21 ' A' ' 34' ' ' VAL . 56.8 mtp -98.67 129.24 45.15 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' HE ' ' HB2' ' A' ' 50' ' ' LYS . 99.9 mtt180 -79.01 -22.42 45.5 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 126.989 2.681 . . . . 0.0 108.609 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.04 83.35 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.55 ' HB1' ' HD2' ' A' ' 30' ' ' PRO . . . -94.71 -172.5 0.3 Allowed Pre-proline 0 C--N 1.302 -1.481 1 N-CA-C 98.615 -4.587 . . . . 0.0 98.615 179.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HD2' ' HB1' ' A' ' 29' ' ' ALA . 47.2 Cg_endo -61.2 -70.54 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 CA-C-N 123.062 2.129 . . . . 0.0 110.131 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.2 mtm -155.75 65.63 0.6 Allowed 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.8 t -76.72 112.13 20.25 Favored Pre-proline 0 N--CA 1.5 2.075 0 C-N-CA 118.155 -1.418 . . . . 0.0 112.385 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -66.61 96.23 0.35 Allowed 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.215 1.943 . . . . 0.0 114.397 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG21 ' SD ' ' A' ' 26' ' ' MET . 91.6 t -90.88 -70.78 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -95.81 159.94 14.73 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -166.99 134.16 2.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 125.829 1.956 . . . . 0.0 106.293 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -177.5 -171.69 41.24 Favored Glycine 0 N--CA 1.496 2.684 0 C-N-CA 117.235 -2.412 . . . . 0.0 113.69 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 84.4 m -95.86 123.13 39.31 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 113.647 0.981 . . . . 0.0 113.647 -179.979 -67.434 -92.445 -73.24 103.416 2.021 103.109 -50.745 -59.018 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' A' ' 22' ' ' TYR . 43.6 pt -134.62 -157.76 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 CA-C-O 122.778 1.275 . . . . 0.0 109.614 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -121.92 -62.63 1.38 Allowed 'General case' 0 C--N 1.299 -1.622 0 N-CA-C 100.307 -3.96 . . . . 0.0 100.307 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' CYS . 7.4 p -147.59 152.42 12.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 C-N-CA 117.342 -1.743 . . . . 0.0 110.787 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.446 ' N ' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -61.23 134.38 93.17 Favored Pre-proline 0 C--N 1.3 -1.564 0 CA-C-N 112.615 -2.084 . . . . 0.0 115.585 -179.504 -123.797 62.225 74.005 95.207 2.015 102.501 108.322 -64.623 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -80.42 -168.03 0.58 Allowed 'Trans proline' 0 C--N 1.31 -1.464 0 N-CA-C 106.318 -2.224 . . . . 0.0 106.318 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -74.07 110.22 8.19 Favored 'General case' 0 N--CA 1.493 1.712 0 C-N-CA 118.891 -1.124 . . . . 0.0 112.248 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.488 ' HA ' ' CD2' ' A' ' 51' ' ' TYR . 60.5 m -60.82 135.74 57.87 Favored 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 119.364 -0.935 . . . . 0.0 109.917 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p -87.25 152.65 22.12 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 119.206 -0.997 . . . . 0.0 109.343 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.79 -29.31 66.74 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.242 -0.983 . . . . 0.0 109.491 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' N ' HD22 ' A' ' 48' ' ' LEU . 3.5 mm? -86.25 -21.12 27.57 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.836 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 4.7 mp -139.36 130.42 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 CA-C-O 122.747 1.261 . . . . 0.0 112.157 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.515 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 88.0 tttt -93.39 126.45 38.53 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.307 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' CD2' ' HA ' ' A' ' 45' ' ' SER . 12.6 m-30 -101.21 105.83 16.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.5 ttm -90.84 86.87 6.44 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.564 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 22' ' ' TYR . 87.4 m -94.92 153.03 17.87 Favored 'General case' 0 N--CA 1.49 1.568 0 CA-C-N 114.574 -1.194 . . . . 0.0 113.074 -179.913 -64.623 108.322 74.005 102.501 2.015 95.207 62.225 -123.797 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 1.9 p -156.07 -176.05 5.75 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 179.894 84.748 -122.397 -90.748 106.804 2.017 102.987 -149.49 78.993 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.594 ' H ' HD22 ' A' ' 55' ' ' ASN . 0.6 OUTLIER -115.26 -20.62 10.28 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.9 136.85 32.79 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 119.725 3.231 . . . . 0.0 119.725 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -53.09 154.96 2.74 Favored 'General case' 0 C--N 1.298 -1.65 1 CA-C-N 107.983 -4.189 . . . . 0.0 106.932 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.1 mttm 67.6 -24.75 0.12 Allowed 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 10.2 p -44.72 -31.48 1.2 Allowed 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 113.955 -1.475 . . . . 0.0 114.105 -179.617 78.993 -149.49 -90.748 102.987 2.017 106.804 -122.397 84.748 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.685 -179.873 . . . . . . . . 0 0 . 1 stop_ save_