data_1l4w_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 1l4w _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' ' ' ILE . . . . . 0.464 HG22 HD13 ' A' ' 1' ' ' ILE . 2.6 mt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.405 0.622 . . . . 2.7799999999999998 111.293 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.419 ' C ' ' H ' ' A' ' 64' ' ' LYS . 91.3 t -97.71 163.93 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.038 -0.983 . . . . 1.46 109.401 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 1.7 t -164.52 149.74 10.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.798 -0.761 . . . . 0.68000000000000005 112.789 -179.968 -149.013 57.16 -168.38 103.181 2.028 103.446 -62.075 -63.313 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 35.0 m-70 -98.82 174.84 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.016 -0.993 . . . . 2.1899999999999999 109.93 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.653 ' HA ' ' HB2' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -171.97 161.21 5.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.72 -0.673 . . . . 1.4199999999999999 109.908 178.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.741 ' C ' ' HB2' ' B' ' 187' ' ' TRP . 77.8 p -119.23 98.92 6.39 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.219 -0.659 . . . . 1.5700000000000001 109.219 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.927 ' O ' ' N ' ' B' ' 186' ' ' HIS . . . -159.51 -46.53 0.05 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.49 1.663 . . . . 1.97 115.49 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.817 ' N ' ' HG2' ' B' ' 185' ' ' LYS . 2.1 t -76.14 -145.16 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.057 -1.027 . . . . 2.0 112.796 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.656 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 1.6 m -67.19 -64.98 1.75 Allowed Pre-proline 0 C--O 1.22 -0.459 0 N-CA-C 108.226 -1.027 . . . . 1.3700000000000001 108.226 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.656 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 91.4 Cg_endo -98.83 -165.54 0.08 OUTLIER 'Trans proline' 0 N--CA 1.434 -1.986 0 C-N-CA 122.747 2.298 . . . . 0.68999999999999995 107.727 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.95 136.61 26.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.825 -0.806 . . . . 1.95 108.825 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.493 ' HB3' HG21 ' A' ' 8' ' ' THR . 0.6 OUTLIER -95.58 151.9 18.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.307 . . . . 1.3700000000000001 110.368 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.03 116.85 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 1.24 111.569 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.58 165.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 1.8100000000000001 111.171 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.497 ' O ' ' HD3' ' A' ' 17' ' ' PRO . 9.0 m -95.72 140.63 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 2.1200000000000001 110.0 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -90.67 106.54 15.74 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.44 -0.346 . . . . 1.03 110.895 -179.729 -40.049 -151.68 144.712 104.425 2.032 103.86 157.695 176.212 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HD3' ' O ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -62.41 -47.14 10.26 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.958 2.439 . . . . 3.0 114.366 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 17' ' ' PRO . 43.3 Cg_endo -71.4 -166.42 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.09 1.86 . . . . 3.1600000000000001 113.028 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -69.07 -28.03 73.3 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.842 -0.694 . . . . 1.8500000000000001 112.602 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 1.3 pt-20 -76.0 94.17 3.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 3.75 110.371 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 0.4 OUTLIER -121.17 1.96 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.71 110.528 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.97 133.22 47.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.29 -0.414 . . . . 2.1699999999999999 110.96 -179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 74.4 m -99.29 111.44 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.60999999999999999 110.13 179.532 -63.313 -62.075 -168.38 103.446 2.028 103.181 57.16 -149.013 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.465 ' CE1' ' HA3' ' A' ' 43' ' ' GLY . 50.8 p90 -96.27 149.93 21.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.385 0.612 . . . . 2.2400000000000002 111.102 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.579 ' NH2' ' HA ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -118.58 83.18 1.97 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.67 -1.15 . . . . 3.5 109.8 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -78.88 139.08 38.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 2.7599999999999998 111.228 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 35.2 mtm -156.68 130.0 8.04 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 2.1000000000000001 111.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.714 ' CZ2' HG11 ' A' ' 39' ' ' VAL . 36.5 p90 -135.36 -157.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 0.77000000000000002 109.7 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.51 120.76 43.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.614 0.598 . . . . 1.6100000000000001 112.614 -178.648 -128.776 -161.682 90.111 104.098 2.033 103.735 81.257 -82.76 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.63 ' O ' ' O ' ' A' ' 37' ' ' GLY . 2.5 t70 -140.95 83.38 1.88 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.356 -0.838 . . . . 2.1499999999999999 110.096 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.95 ' O ' ' N ' ' A' ' 35' ' ' SER . . . 96.09 -30.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.143 -0.935 . . . . 2.5899999999999999 112.933 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.703 ' HB2' ' C ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -64.73 -31.6 72.9 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.095 -1.446 . . . . 4.6600000000000001 107.095 177.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 m -76.46 -35.27 58.54 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 107.161 -1.422 . . . . 2.4199999999999999 107.161 176.163 -82.76 81.257 90.111 103.735 2.033 104.098 -161.682 -128.776 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.6 -74.82 0.51 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.657 -1.156 . . . . 3.46 110.927 177.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 31' ' ' ALA . 52.6 p -142.87 -52.13 0.37 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.35 1.611 . . . . 3.1499999999999999 115.35 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -73.8 -90.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.47 1.285 . . . . 4.2999999999999998 114.47 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.703 ' C ' ' HB2' ' A' ' 32' ' ' PHE . . . -161.56 -176.78 34.03 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 118.915 -1.612 . . . . 1.24 114.634 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.739 ' O ' ' HA ' ' B' ' 190' ' ' TYR . 0.0 OUTLIER -81.01 144.97 31.4 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.603 -0.888 . . . . 2.5699999999999998 108.603 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG11 ' CZ2' ' A' ' 28' ' ' TRP . 2.1 t -81.77 149.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 1.5900000000000001 111.672 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.621 ' N ' HG12 ' A' ' 39' ' ' VAL . 4.0 t -140.51 123.92 17.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 114.857 -1.065 . . . . 1.22 111.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' HG3' ' HB3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -128.55 121.68 29.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.656 -0.702 . . . . 2.5899999999999999 109.857 177.679 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.653 ' HB2' ' HA ' ' A' ' 5' ' ' THR . 20.2 mt -96.1 134.01 39.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 1.52 109.773 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' HA3' ' CE1' ' A' ' 24' ' ' TYR . . . -156.43 177.65 33.31 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 119.297 -1.43 . . . . 0.64000000000000001 114.102 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 43.5 t -121.96 119.55 31.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.375 -0.412 . . . . 0.73999999999999999 110.403 -179.887 176.212 157.695 144.712 103.86 2.032 104.425 -151.68 -40.049 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.47 178.56 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.12 0.486 . . . . 1.3300000000000001 111.776 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 20' ' ' GLU . . . -122.62 -29.36 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.613 -0.721 . . . . 1.4399999999999999 110.198 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.1 t -121.13 53.34 1.15 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.769 -0.651 . . . . 2.5600000000000001 111.558 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.83 100.78 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 2.02 111.368 179.88 -166.547 -136.62 -68.519 103.804 2.031 104.023 -84.774 -37.648 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.44 -173.37 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.69 2.26 . . . . 3.5499999999999998 112.878 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.23 137.4 32.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.929 -0.578 . . . . 3.9300000000000002 111.247 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -90.84 13.74 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 5.8899999999999997 111.659 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.573 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -60.07 -40.85 81.15 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 112.828 0.677 . . . . 5.9699999999999998 112.828 -179.121 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 21.4 Cg_exo -32.0 -50.84 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.637 2.224 . . . . 3.9300000000000002 113.3 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 24.6 t80 175.79 28.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.927 0.343 . . . . 3.3799999999999999 111.927 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 54' ' ' TYR . 4.6 mt-10 -154.94 -163.34 1.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.084 -1.046 . . . . 2.2799999999999998 111.972 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.56 165.19 18.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.842 -0.617 . . . . 2.8399999999999999 110.117 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 ' N ' ' HG2' ' A' ' 51' ' ' LYS . 10.4 p -169.95 115.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.971 0.415 . . . . 2.0 111.5 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 108.86 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 1.5900000000000001 110.382 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.29 114.19 25.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 1.21 110.924 -179.602 -37.648 -84.774 -68.519 104.023 2.031 103.804 -136.62 -166.547 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.0 152.02 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.81000000000000005 110.525 -179.893 63.468 90.324 92.455 103.263 2.024 103.684 88.939 58.981 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -123.94 49.61 1.73 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 1.8300000000000001 113.117 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 65' ' ' CYS . 7.5 p -131.87 153.05 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.07 -0.344 . . . . 1.8100000000000001 110.07 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.452 ' C ' ' HG3' ' A' ' 64' ' ' LYS . 69.5 m-20 -38.87 122.96 1.23 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 2.4500000000000002 111.623 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . 0.0 OUTLIER 30.77 56.12 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.318 -0.856 . . . . 2.8799999999999999 111.459 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 26.5 p -86.88 11.9 12.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.231 -0.895 . . . . 0.59999999999999998 111.943 -179.387 58.981 88.939 92.455 103.684 2.024 103.263 90.324 63.468 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' CG ' ' HB3' ' A' ' 23' ' ' CYS . 8.7 p-10 -112.55 60.5 0.61 Allowed Pre-proline 0 N--CA 1.461 0.105 0 CA-C-O 120.579 0.228 . . . . 0.98999999999999999 111.158 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD3' ' C ' ' A' ' 65' ' ' CYS . 48.8 Cg_endo -81.55 169.04 15.77 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.459 2.106 . . . . 1.1799999999999999 111.852 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.657 ' NE2' ' HB3' ' B' ' 189' ' ' TYR . 0.1 OUTLIER -84.78 154.39 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 2.3300000000000001 111.845 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.414 ' HD3' ' NH1' ' A' ' 25' ' ' ARG . 6.5 Cg_endo -87.53 -64.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.462 2.774 . . . . 1.3300000000000001 112.133 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.411 ' HG3' ' CA ' ' B' ' 192' ' ' CYS . 4.2 mmmt -69.3 -30.68 68.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 3.9500000000000002 110.14 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.444 ' HG3' ' HA ' ' B' ' 194' ' ' PRO . 22.5 mt-30 -104.2 109.51 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 2.1800000000000002 111.352 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.444 ' HG2' ' HD3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER 176.61 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 6.2800000000000002 110.581 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.444 ' HD3' ' HG2' ' A' ' 72' ' ' ARG . 85.3 Cg_endo -89.0 51.73 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.764 2.309 . . . . 4.2800000000000002 112.489 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.376 -1.236 . . . . 5.2699999999999996 112.508 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.832 0.349 . . . . 5.4800000000000004 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.86 -78.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 6.2300000000000004 110.917 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 118.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 6.1200000000000001 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -99.95 -114.95 3.68 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.666 -0.778 . . . . 2.6299999999999999 112.633 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 184' ' ' TRP . . . . . 0.495 ' C ' ' HE3' ' B' ' 184' ' ' TRP . 0.0 OUTLIER -122.54 -118.01 0.3 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.665 0.246 . . . . 4.25 111.665 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 185' ' ' LYS . . . . . 0.817 ' HG2' ' N ' ' A' ' 8' ' ' THR . 2.4 mtmt -141.71 108.26 5.33 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 122.334 -0.229 . . . . 2.6000000000000001 111.317 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 186' ' ' HIS . . . . . 0.927 ' N ' ' O ' ' A' ' 7' ' ' ALA . 10.4 t-80 -140.7 124.27 16.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.803 0.335 . . . . 2.2400000000000002 110.9 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 187' ' ' TRP . . . . . 0.741 ' HB2' ' C ' ' A' ' 6' ' ' THR . 3.3 m95 -140.76 169.65 17.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.902 0.858 . . . . 0.63 111.568 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 188' ' ' VAL . . . . . 0.648 ' HB ' ' HB2' ' B' ' 198' ' ' TYR . 2.2 t -156.99 95.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 113.96 -1.473 . . . . 1.2 108.083 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 189' ' ' TYR . . . . . 0.657 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 3.5 m-85 -98.65 118.95 36.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.608 -0.516 . . . . 2.4199999999999999 109.608 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 190' ' ' TYR . . . . . 0.739 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -98.57 126.88 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 2.25 111.901 -177.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 191' ' ' THR . . . . . 0.571 ' O ' ' HB3' ' B' ' 192' ' ' CYS . 1.7 p -69.94 127.28 32.33 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.022 -0.733 . . . . 1.1499999999999999 109.022 177.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 192' ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' B' ' 191' ' ' THR . 0.0 OUTLIER 143.98 -44.12 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.963 0.887 . . . . 0.94999999999999996 110.911 -179.994 135.796 -84.953 105.721 106.334 2.053 106.81 -72.424 14.271 3 3 . 1 . 001 nuclear orig full ' B' B ' 193' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 129.36 8.35 Favored Pre-proline 0 C--N 1.305 -1.349 0 CA-C-N 113.285 -1.779 . . . . 1.01 113.068 -171.858 14.271 -72.424 105.721 106.81 2.053 106.334 -84.953 135.796 2 2 . 1 . 001 nuclear orig full ' B' B ' 194' ' ' PRO . . . . . 0.444 ' HA ' ' HG3' ' A' ' 71' ' ' GLN . 24.2 Cg_endo -91.64 -23.48 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.302 2.668 . . . . 1.49 112.823 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.61 -1.41 55.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 1.77 111.227 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 196' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 198' ' ' TYR . 6.4 p -121.28 51.56 2.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.6 -0.273 . . . . 2.4199999999999999 110.863 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 197' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 196' ' ' THR . 61.4 Cg_endo -72.94 143.18 36.13 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.272 1.981 . . . . 1.1899999999999999 112.0 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 198' ' ' TYR . . . . . 0.648 ' HB2' ' HB ' ' B' ' 188' ' ' VAL . 0.2 OUTLIER -107.79 100.87 10.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.911 -0.774 . . . . 2.1800000000000002 108.911 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 199' ' ' LEU . . . . . 0.535 ' CD1' ' O ' ' A' ' 9' ' ' SER . 4.4 tt -98.95 143.87 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.565 -0.743 . . . . 2.6099999999999999 112.44 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 200' ' ' ASP . . . . . 0.579 ' O ' ' O ' ' B' ' 186' ' ' HIS . 55.0 m-20 -139.37 113.03 8.44 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.74 . . . . 1.9399999999999999 110.639 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ILE . . . . . . . . . . . . . 1.1 pp -126.21 -56.16 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 2.5800000000000001 111.627 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 26.3 m -163.33 142.49 8.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 4.5300000000000002 111.111 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -170.13 85.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 5.3899999999999997 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.284 -0.865 . . . . 4.3600000000000003 110.94 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.841 ' O ' HG23 ' A' ' 15' ' ' THR . 2.6 mt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.405 0.622 . . . . 2.2400000000000002 111.293 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.604 ' H ' HG22 ' A' ' 1' ' ' ILE . 91.3 t -97.71 163.93 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.038 -0.983 . . . . 0.81000000000000005 109.401 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 1.7 t -164.52 149.74 10.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.798 -0.761 . . . . 0.68000000000000005 112.789 -179.968 -149.013 57.16 -168.38 103.181 2.028 103.446 -62.075 -63.313 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 35.0 m-70 -98.82 174.84 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.016 -0.993 . . . . 1.3300000000000001 109.93 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.878 HG23 ' OG ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -171.97 161.21 5.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.72 -0.673 . . . . 1.01 109.908 178.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.774 ' C ' ' HB2' ' B' ' 187' ' ' TRP . 77.8 p -119.23 98.92 6.39 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.219 -0.659 . . . . 1.45 109.219 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.927 ' O ' ' N ' ' B' ' 186' ' ' HIS . . . -159.51 -46.53 0.05 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.49 1.663 . . . . 1.51 115.49 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.828 ' N ' ' HG2' ' B' ' 185' ' ' LYS . 2.1 t -76.14 -145.16 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.057 -1.027 . . . . 1.54 112.796 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.702 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 1.6 m -67.19 -64.98 1.75 Allowed Pre-proline 0 C--O 1.22 -0.459 0 N-CA-C 108.226 -1.027 . . . . 0.98999999999999999 108.226 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 91.4 Cg_endo -98.83 -165.54 0.08 OUTLIER 'Trans proline' 0 N--CA 1.434 -1.986 0 C-N-CA 122.747 2.298 . . . . 0.60999999999999999 107.727 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.95 136.61 26.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.825 -0.806 . . . . 1.4199999999999999 108.825 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.878 ' OG ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -95.58 151.9 18.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.307 . . . . 0.97999999999999998 110.368 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.03 116.85 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.79000000000000004 111.569 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.58 165.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.171 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 1' ' ' ILE . 9.0 m -95.72 140.63 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.0 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -90.67 106.54 15.74 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.44 -0.346 . . . . 1.03 110.895 -179.729 -40.049 -151.68 144.712 104.425 2.032 103.86 157.695 176.212 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -62.41 -47.14 10.26 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.958 2.439 . . . . 2.46 114.366 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 17' ' ' PRO . 43.3 Cg_endo -71.4 -166.42 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.09 1.86 . . . . 2.6200000000000001 113.028 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.07 -28.03 73.3 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.842 -0.694 . . . . 1.8500000000000001 112.602 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.945 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 pt-20 -76.0 94.17 3.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 3.75 110.371 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 1' ' ' ILE . 0.6 OUTLIER -121.17 1.96 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.71 110.528 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -69.97 133.22 47.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.29 -0.414 . . . . 1.5600000000000001 110.96 -179.352 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 74.4 m -99.29 111.44 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.54000000000000004 110.13 179.532 -63.313 -62.075 -168.38 103.446 2.028 103.181 57.16 -149.013 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HA3' ' A' ' 43' ' ' GLY . 50.8 p90 -96.27 149.93 21.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.385 0.612 . . . . 1.3600000000000001 111.102 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.716 HH22 HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -118.58 83.18 1.97 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.67 -1.15 . . . . 2.6099999999999999 109.8 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -78.88 139.08 38.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 2.2799999999999998 111.228 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 35.2 mtm -156.68 130.0 8.04 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.5900000000000001 111.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 1.116 ' CZ2' HG11 ' A' ' 39' ' ' VAL . 36.5 p90 -135.36 -157.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 0.70999999999999996 109.7 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.51 120.76 43.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.614 0.598 . . . . 1.6100000000000001 112.614 -178.648 -128.776 -161.682 90.111 104.098 2.033 103.735 81.257 -82.76 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.871 ' CB ' HG23 ' A' ' 39' ' ' VAL . 2.5 t70 -140.95 83.38 1.88 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.356 -0.838 . . . . 2.1499999999999999 110.096 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 1.032 ' HB1' ' H ' ' A' ' 36' ' ' ARG . . . 96.09 -30.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.143 -0.935 . . . . 2.2599999999999998 112.933 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.718 ' HB2' ' C ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -64.73 -31.6 72.9 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.095 -1.446 . . . . 4.0700000000000003 107.095 177.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 m -76.46 -35.27 58.54 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 107.161 -1.422 . . . . 2.4199999999999999 107.161 176.163 -82.76 81.257 90.111 103.735 2.033 104.098 -161.682 -128.776 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.6 -74.82 0.51 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.657 -1.156 . . . . 3.3199999999999998 110.927 177.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 31' ' ' ALA . 52.6 p -142.87 -52.13 0.37 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.35 1.611 . . . . 2.77 115.35 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 1.032 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -73.8 -90.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.47 1.285 . . . . 3.8399999999999999 114.47 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.718 ' C ' ' HB2' ' A' ' 32' ' ' PHE . . . -161.56 -176.78 34.03 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 118.915 -1.612 . . . . 1.1299999999999999 114.634 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.723 ' O ' ' HA ' ' B' ' 190' ' ' TYR . 0.0 OUTLIER -81.01 144.97 31.4 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.603 -0.888 . . . . 2.1299999999999999 108.603 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.116 HG11 ' CZ2' ' A' ' 28' ' ' TRP . 2.1 t -81.77 149.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 0.98999999999999999 111.672 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG11 HH22 ' A' ' 25' ' ' ARG . 4.0 t -140.51 123.92 17.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 114.857 -1.065 . . . . 0.59999999999999998 111.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -128.55 121.68 29.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.656 -0.702 . . . . 2.5899999999999999 109.857 177.679 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 66' ' ' ASN . 20.2 mt -96.1 134.01 39.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.93000000000000005 109.773 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.469 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -156.43 177.65 33.31 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 119.297 -1.43 . . . . 0.51000000000000001 114.102 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 43.5 t -121.96 119.55 31.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.375 -0.412 . . . . 0.73999999999999999 110.403 -179.887 176.212 157.695 144.712 103.86 2.032 104.425 -151.68 -40.049 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.47 178.56 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.12 0.486 . . . . 0.71999999999999997 111.776 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.945 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . . . -122.62 -29.36 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.613 -0.721 . . . . 1.1499999999999999 110.198 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 47' ' ' THR . 15.1 t -121.13 53.34 1.15 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.769 -0.651 . . . . 2.1000000000000001 111.558 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.83 100.78 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 1.5600000000000001 111.368 179.88 -166.547 -136.62 -68.519 103.804 2.031 104.023 -84.774 -37.648 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.44 -173.37 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.69 2.26 . . . . 2.8700000000000001 112.878 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.23 137.4 32.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.929 -0.578 . . . . 3.75 111.247 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.87 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -90.84 13.74 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 5.5599999999999996 111.659 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -60.07 -40.85 81.15 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 112.828 0.677 . . . . 5.5199999999999996 112.828 -179.121 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 21.4 Cg_exo -32.0 -50.84 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.637 2.224 . . . . 3.4300000000000002 113.3 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 24.6 t80 175.79 28.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.927 0.343 . . . . 3.2400000000000002 111.927 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 54' ' ' TYR . 4.6 mt-10 -154.94 -163.34 1.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.084 -1.046 . . . . 2.2799999999999998 111.972 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.56 165.19 18.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.842 -0.617 . . . . 2.8399999999999999 110.117 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.87 HG12 ' CG ' ' A' ' 51' ' ' LYS . 10.4 p -169.95 115.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.971 0.415 . . . . 1.52 111.5 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 108.86 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 1.1399999999999999 110.382 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.29 114.19 25.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 1.21 110.924 -179.602 -37.648 -84.774 -68.519 104.023 2.031 103.804 -136.62 -166.547 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.0 152.02 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.81000000000000005 110.525 -179.893 63.468 90.324 92.455 103.263 2.024 103.684 88.939 58.981 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -123.94 49.61 1.73 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 1.5700000000000001 113.117 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 65' ' ' CYS . 7.5 p -131.87 153.05 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.07 -0.344 . . . . 1.27 110.07 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 1' ' ' ILE . 69.5 m-20 -38.87 122.96 1.23 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 2.4500000000000002 111.623 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 30.77 56.12 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.318 -0.856 . . . . 2.3399999999999999 111.459 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 26.5 p -86.88 11.9 12.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.231 -0.895 . . . . 0.57999999999999996 111.943 -179.387 58.981 88.939 92.455 103.684 2.024 103.263 90.324 63.468 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.765 ' O ' HD13 ' A' ' 42' ' ' LEU . 8.7 p-10 -112.55 60.5 0.61 Allowed Pre-proline 0 N--CA 1.461 0.105 0 CA-C-O 120.579 0.228 . . . . 0.98999999999999999 111.158 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 65' ' ' CYS . 48.8 Cg_endo -81.55 169.04 15.77 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.459 2.106 . . . . 1.1799999999999999 111.852 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.683 ' NE2' ' HB3' ' B' ' 189' ' ' TYR . 0.1 OUTLIER -84.78 154.39 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 1.3999999999999999 111.845 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 6.5 Cg_endo -87.53 -64.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.462 2.774 . . . . 1.01 112.133 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG3' ' CA ' ' B' ' 192' ' ' CYS . 4.2 mmmt -69.3 -30.68 68.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 3.54 110.14 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.439 ' NE2' ' CD1' ' B' ' 189' ' ' TYR . 11.8 mt-30 -104.2 109.51 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 2.1800000000000002 111.352 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG2' ' HD3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER 176.61 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 5.5499999999999998 110.581 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD3' ' HG2' ' A' ' 72' ' ' ARG . 85.3 Cg_endo -89.0 51.73 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.764 2.309 . . . . 3.6400000000000001 112.489 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.376 -1.236 . . . . 5.2699999999999996 112.508 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.832 0.349 . . . . 5.4800000000000004 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.86 -78.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 6.2300000000000004 110.917 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 118.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 5.5599999999999996 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -99.95 -114.95 3.68 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.666 -0.778 . . . . 2.1200000000000001 112.633 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 184' ' ' TRP . . . . . 0.509 ' C ' ' HE3' ' B' ' 184' ' ' TRP . 0.0 OUTLIER -122.54 -118.01 0.3 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.665 0.246 . . . . 3.6099999999999999 111.665 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 185' ' ' LYS . . . . . 0.841 ' HB3' ' HB1' ' A' ' 7' ' ' ALA . 2.4 mtmt -141.71 108.26 5.33 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 122.334 -0.229 . . . . 2.1699999999999999 111.317 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 186' ' ' HIS . . . . . 0.927 ' N ' ' O ' ' A' ' 7' ' ' ALA . 10.4 t-80 -140.7 124.27 16.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.803 0.335 . . . . 1.45 110.9 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 187' ' ' TRP . . . . . 0.774 ' HB2' ' C ' ' A' ' 6' ' ' THR . 3.3 m95 -140.76 169.65 17.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.902 0.858 . . . . 0.58999999999999997 111.568 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 188' ' ' VAL . . . . . 0.69 ' HB ' ' HB2' ' B' ' 198' ' ' TYR . 2.2 t -156.99 95.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 113.96 -1.473 . . . . 0.56000000000000005 108.083 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 189' ' ' TYR . . . . . 0.683 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 3.5 m-85 -98.65 118.95 36.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.608 -0.516 . . . . 1.53 109.608 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 190' ' ' TYR . . . . . 0.723 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -98.57 126.88 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 1.3600000000000001 111.901 -177.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 191' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' B' ' 192' ' ' CYS . 1.7 p -69.94 127.28 32.33 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.022 -0.733 . . . . 0.75 109.022 177.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 192' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' B' ' 191' ' ' THR . 0.0 OUTLIER 143.98 -44.12 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.963 0.887 . . . . 0.94999999999999996 110.911 -179.994 135.796 -84.953 105.721 106.334 2.053 106.81 -72.424 14.271 3 3 . 1 . 001 nuclear build full ' B' B ' 193' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 129.36 8.35 Favored Pre-proline 0 C--N 1.305 -1.349 0 CA-C-N 113.285 -1.779 . . . . 1.01 113.068 -171.858 14.271 -72.424 105.721 106.81 2.053 106.334 -84.953 135.796 2 2 . 1 . 001 nuclear build full ' B' B ' 194' ' ' PRO . . . . . 0.42 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . 24.2 Cg_endo -91.64 -23.48 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.302 2.668 . . . . 1.1499999999999999 112.823 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.61 -1.41 55.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 1.77 111.227 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 196' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 198' ' ' TYR . 6.4 p -121.28 51.56 2.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.6 -0.273 . . . . 1.8600000000000001 110.863 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 197' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 196' ' ' THR . 61.4 Cg_endo -72.94 143.18 36.13 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.272 1.981 . . . . 0.91000000000000003 112.0 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 198' ' ' TYR . . . . . 0.69 ' HB2' ' HB ' ' B' ' 188' ' ' VAL . 0.2 OUTLIER -107.79 100.87 10.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.911 -0.774 . . . . 1.3500000000000001 108.911 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 199' ' ' LEU . . . . . 0.941 HD23 ' N ' ' B' ' 200' ' ' ASP . 4.4 tt -98.95 143.87 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.565 -0.743 . . . . 2.0800000000000001 112.44 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 200' ' ' ASP . . . . . 0.941 ' N ' HD23 ' B' ' 199' ' ' LEU . 55.0 m-20 -139.37 113.03 8.44 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.74 . . . . 1.9399999999999999 110.639 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ILE . . . . . 0.788 HG23 HD21 ' B' ' 199' ' ' LEU . 1.1 pp -126.21 -56.16 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 2.1499999999999999 111.627 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 26.3 m -163.33 142.49 8.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 4.0199999999999996 111.111 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -170.13 85.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 5.3899999999999997 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.284 -0.865 . . . . 4.3600000000000003 110.94 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.841 ' O ' HG23 ' A' ' 15' ' ' THR . 2.6 mt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 121.405 0.622 . . . . 2.24 111.293 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.604 ' H ' HG22 ' A' ' 1' ' ' ILE . 91.3 t -97.71 163.93 2.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.038 -0.983 . . . . 0.81 109.401 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 64' ' ' LYS . 1.7 t -164.52 149.74 10.03 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.798 -0.761 . . . . 0.68 112.789 -179.968 -149.013 57.16 -168.38 103.181 2.028 103.446 -62.075 -63.313 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.528 ' CD2' ' HB2' ' A' ' 64' ' ' LYS . 35.0 m-70 -98.82 174.84 6.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.016 -0.993 . . . . 1.33 109.93 178.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.878 HG23 ' OG ' ' A' ' 12' ' ' SER . 0.4 OUTLIER -171.97 161.21 5.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.72 -0.673 . . . . 1.01 109.908 178.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.774 ' C ' ' HB2' ' B' ' 187' ' ' TRP . 77.8 p -119.23 98.92 6.39 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 109.219 -0.659 . . . . 1.45 109.219 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.927 ' O ' ' N ' ' B' ' 186' ' ' HIS . . . -159.51 -46.53 0.05 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.49 1.663 . . . . 1.51 115.49 -178.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.828 ' N ' ' HG2' ' B' ' 185' ' ' LYS . 2.1 t -76.14 -145.16 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 O-C-N 121.057 -1.027 . . . . 1.54 112.796 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.702 ' HB2' ' HD3' ' A' ' 10' ' ' PRO . 1.6 m -67.19 -64.98 1.75 Allowed Pre-proline 0 C--O 1.22 -0.459 0 N-CA-C 108.226 -1.027 . . . . 0.99 108.226 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.702 ' HD3' ' HB2' ' A' ' 9' ' ' SER . 91.4 Cg_endo -98.83 -165.54 0.08 OUTLIER 'Trans proline' 0 N--CA 1.434 -1.986 0 C-N-CA 122.747 2.298 . . . . 0.61 107.727 175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 mt -63.95 136.61 26.1 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 108.825 -0.806 . . . . 1.42 108.825 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.878 ' OG ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -95.58 151.9 18.91 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.744 0.307 . . . . 0.98 110.368 -178.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.03 116.85 6.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.79 111.569 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 16.2 m -140.58 165.04 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 1.24 111.171 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.841 HG23 ' O ' ' A' ' 1' ' ' ILE . 9.0 m -95.72 140.63 30.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.046 -0.525 . . . . 1.5 110.0 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 m -90.67 106.54 15.74 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.44 -0.346 . . . . 1.03 110.895 -179.729 -40.049 -151.68 144.712 104.425 2.032 103.86 157.695 176.212 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' HD3' ' O ' ' A' ' 15' ' ' THR . 34.3 Cg_exo -62.41 -47.14 10.26 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 122.958 2.439 . . . . 2.46 114.366 -178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 17' ' ' PRO . 43.3 Cg_endo -71.4 -166.42 0.24 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.09 1.86 . . . . 2.62 113.028 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . -69.07 -28.03 73.3 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.842 -0.694 . . . . 1.85 112.602 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.945 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 1.3 pt-20 -76.0 94.17 3.38 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.066 0.46 . . . . 3.75 110.371 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 1' ' ' ILE . 0.4 OUTLIER -121.17 1.96 10.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 1.71 110.528 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 44' ' ' CYS . 1.0 OUTLIER -69.97 133.22 47.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.29 -0.414 . . . . 1.56 110.96 -179.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.602 ' HB2' ' SG ' ' A' ' 65' ' ' CYS . 74.4 m -99.29 111.44 23.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.029 -0.532 . . . . 0.54 110.13 179.532 -63.313 -62.075 -168.38 103.446 2.028 103.181 57.16 -149.013 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' ' HA3' ' A' ' 43' ' ' GLY . 50.8 p90 -96.27 149.93 21.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.385 0.612 . . . . 1.36 111.102 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.716 HH22 HG11 ' A' ' 40' ' ' VAL . 0.0 OUTLIER -118.58 83.18 1.97 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.67 -1.15 . . . . 2.61 109.8 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.506 ' HB3' ' HG3' ' A' ' 41' ' ' GLU . 1.0 OUTLIER -78.88 139.08 38.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 2.28 111.228 -178.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 35.2 mtm -156.68 130.0 8.04 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.952 -0.567 . . . . 1.59 111.901 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 1.116 ' CZ2' HG11 ' A' ' 39' ' ' VAL . 36.5 p90 -135.36 -157.76 0.82 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.546 -0.752 . . . . 0.71 109.7 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.51 120.76 43.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.614 0.598 . . . . 1.61 112.614 -178.648 -128.776 -161.682 90.111 104.098 2.033 103.735 81.257 -82.76 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.871 ' CB ' HG23 ' A' ' 39' ' ' VAL . 2.5 t70 -140.95 83.38 1.88 Allowed 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.356 -0.838 . . . . 2.15 110.096 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 1.032 ' HB1' ' H ' ' A' ' 36' ' ' ARG . . . 96.09 -30.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.143 -0.935 . . . . 2.26 112.933 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.718 ' HB2' ' C ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -64.73 -31.6 72.9 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 107.095 -1.446 . . . . 4.07 107.095 177.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.6 m -76.46 -35.27 58.54 Favored 'General case' 0 N--CA 1.435 -1.186 0 N-CA-C 107.161 -1.422 . . . . 2.42 107.161 176.163 -82.76 81.257 90.111 103.735 2.033 104.098 -161.682 -128.776 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.6 -74.82 0.51 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.657 -1.156 . . . . 3.32 110.927 177.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.95 ' N ' ' O ' ' A' ' 31' ' ' ALA . 52.6 p -142.87 -52.13 0.37 Allowed 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 115.35 1.611 . . . . 2.77 115.35 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 1.032 ' H ' ' HB1' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -73.8 -90.71 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 114.47 1.285 . . . . 3.84 114.47 -176.086 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.718 ' C ' ' HB2' ' A' ' 32' ' ' PHE . . . -161.56 -176.78 34.03 Favored Glycine 0 C--N 1.349 1.294 0 C-N-CA 118.915 -1.612 . . . . 1.13 114.634 -177.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.723 ' O ' ' HA ' ' B' ' 190' ' ' TYR . 0.0 OUTLIER -81.01 144.97 31.4 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.603 -0.888 . . . . 2.13 108.603 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.116 HG11 ' CZ2' ' A' ' 28' ' ' TRP . 2.1 t -81.77 149.73 4.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-O 121.32 0.581 . . . . 0.99 111.672 -179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.716 HG11 HH22 ' A' ' 25' ' ' ARG . 4.0 t -140.51 123.92 17.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.758 0 CA-C-N 114.857 -1.065 . . . . 0.6 111.463 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -128.55 121.68 29.35 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 115.656 -0.702 . . . . 2.59 109.857 177.679 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 66' ' ' ASN . 20.2 mt -96.1 134.01 39.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.995 -0.548 . . . . 0.93 109.773 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.469 ' HA3' ' CZ ' ' A' ' 24' ' ' TYR . . . -156.43 177.65 33.31 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 119.297 -1.43 . . . . 0.51 114.102 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' LEU . 43.5 t -121.96 119.55 31.82 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.375 -0.412 . . . . 0.74 110.403 -179.887 176.212 157.695 144.712 103.86 2.032 104.425 -151.68 -40.049 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.47 178.56 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.12 0.486 . . . . 0.72 111.776 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.945 ' HB2' ' CB ' ' A' ' 20' ' ' GLU . . . -122.62 -29.36 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.613 -0.721 . . . . 1.15 110.198 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.561 ' O ' HG23 ' A' ' 47' ' ' THR . 15.1 t -121.13 53.34 1.15 Allowed 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.769 -0.651 . . . . 2.1 111.558 -179.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.83 100.78 0.22 Allowed Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.058 -0.519 . . . . 1.56 111.368 179.88 -166.547 -136.62 -68.519 103.804 2.031 104.023 -84.774 -37.648 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.44 -173.37 0.8 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.69 2.26 . . . . 2.87 112.878 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.23 137.4 32.38 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.929 -0.578 . . . . 3.75 111.247 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.87 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -90.84 13.74 15.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.93 -0.577 . . . . 5.56 111.659 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.598 ' N ' ' HD2' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -60.07 -40.85 81.15 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 112.828 0.677 . . . . 5.52 112.828 -179.121 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 52' ' ' LYS . 21.4 Cg_exo -32.0 -50.84 0.32 Allowed 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.637 2.224 . . . . 3.43 113.3 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 54' ' ' TYR . 24.6 t80 175.79 28.97 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.927 0.343 . . . . 3.24 111.927 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.406 ' CG ' ' C ' ' A' ' 54' ' ' TYR . 4.6 mt-10 -154.94 -163.34 1.55 Allowed 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 119.084 -1.046 . . . . 2.28 111.972 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -124.56 165.19 18.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.842 -0.617 . . . . 2.84 110.117 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.87 HG12 ' CG ' ' A' ' 51' ' ' LYS . 10.4 p -169.95 115.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.971 0.415 . . . . 1.52 111.5 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.69 108.86 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.16 -0.473 . . . . 1.14 110.382 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 3.3 m -89.29 114.19 25.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.53 . . . . 1.21 110.924 -179.602 -37.648 -84.774 -68.519 104.023 2.031 103.804 -136.62 -166.547 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 30.5 p -133.0 152.02 52.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.81 110.525 -179.893 63.468 90.324 92.455 103.263 2.024 103.684 88.939 58.981 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.0 p -123.94 49.61 1.73 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 113.117 0.784 . . . . 1.57 113.117 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.525 ' OG1' ' HB3' ' A' ' 65' ' ' CYS . 7.5 p -131.87 153.05 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.07 -0.344 . . . . 1.27 110.07 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.481 ' HA ' HG22 ' A' ' 1' ' ' ILE . 69.5 m-20 -38.87 122.96 1.23 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-O 120.937 0.399 . . . . 2.45 111.623 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER 30.77 56.12 0.21 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.318 -0.856 . . . . 2.34 111.459 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 23' ' ' CYS . 26.5 p -86.88 11.9 12.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.231 -0.895 . . . . 0.58 111.943 -179.387 58.981 88.939 92.455 103.684 2.024 103.263 90.324 63.468 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.765 ' O ' HD13 ' A' ' 42' ' ' LEU . 8.7 p-10 -112.55 60.5 0.61 Allowed Pre-proline 0 N--CA 1.461 0.105 0 CA-C-O 120.579 0.228 . . . . 0.99 111.158 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.501 ' HD3' ' C ' ' A' ' 65' ' ' CYS . 48.8 Cg_endo -81.55 169.04 15.77 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.459 2.106 . . . . 1.18 111.852 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.683 ' NE2' ' HB3' ' B' ' 189' ' ' TYR . 0.1 OUTLIER -84.78 154.39 61.43 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 1.4 111.845 -179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 6.5 Cg_endo -87.53 -64.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 123.462 2.774 . . . . 1.01 112.133 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG3' ' CA ' ' B' ' 192' ' ' CYS . 4.2 mmmt -69.3 -30.68 68.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 3.54 110.14 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' HG2' ' CB ' ' B' ' 194' ' ' PRO . 22.5 mt-30 -104.2 109.51 21.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.906 -0.588 . . . . 2.18 111.352 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.427 ' HG2' ' HD3' ' A' ' 73' ' ' PRO . 0.2 OUTLIER 176.61 -52.11 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 5.55 110.581 179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD3' ' HG2' ' A' ' 72' ' ' ARG . 85.3 Cg_endo -89.0 51.73 1.59 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.764 2.309 . . . . 3.64 112.489 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.376 -1.236 . . . . 5.27 112.508 179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 180' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.832 0.349 . . . . 5.48 111.168 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 181' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -96.86 -78.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 6.23 110.917 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 182' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 61.55 118.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 5.56 110.853 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 183' ' ' GLY . . . . . . . . . . . . . . . -99.95 -114.95 3.68 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.666 -0.778 . . . . 2.12 112.633 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 184' ' ' TRP . . . . . 0.509 ' HE3' ' C ' ' B' ' 184' ' ' TRP . 0.0 OUTLIER -122.54 -118.01 0.3 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 111.665 0.246 . . . . 3.61 111.665 -179.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 185' ' ' LYS . . . . . 0.841 ' HB3' ' HB1' ' A' ' 7' ' ' ALA . 2.4 mtmt -141.71 108.26 5.33 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 122.334 -0.229 . . . . 2.17 111.317 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 186' ' ' HIS . . . . . 0.927 ' N ' ' O ' ' A' ' 7' ' ' ALA . 10.4 t-80 -140.7 124.27 16.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.803 0.335 . . . . 1.45 110.9 178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 187' ' ' TRP . . . . . 0.774 ' HB2' ' C ' ' A' ' 6' ' ' THR . 3.3 m95 -140.76 169.65 17.24 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.902 0.858 . . . . 0.59 111.568 -179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 188' ' ' VAL . . . . . 0.69 ' HB ' ' HB2' ' B' ' 198' ' ' TYR . 2.2 t -156.99 95.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 113.96 -1.473 . . . . 0.56 108.083 176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 189' ' ' TYR . . . . . 0.683 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 3.5 m-85 -98.65 118.95 36.52 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.608 -0.516 . . . . 1.53 109.608 -179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 190' ' ' TYR . . . . . 0.723 ' HA ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -98.57 126.88 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.462 -0.336 . . . . 1.36 111.901 -177.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 191' ' ' THR . . . . . 0.603 ' O ' ' HB3' ' B' ' 192' ' ' CYS . 1.7 p -69.94 127.28 32.33 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.022 -0.733 . . . . 0.75 109.022 177.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 192' ' ' CYS . . . . . 0.603 ' HB3' ' O ' ' B' ' 191' ' ' THR . 0.0 OUTLIER 143.98 -44.12 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.963 0.887 . . . . 0.95 110.911 -179.994 135.796 -84.953 105.721 106.334 2.053 106.81 -72.424 14.271 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 193' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 129.36 8.35 Favored Pre-proline 0 C--N 1.305 -1.349 0 CA-C-N 113.285 -1.779 . . . . 1.01 113.068 -171.858 14.271 -72.424 105.721 106.81 2.053 106.334 -84.953 135.796 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 194' ' ' PRO . . . . . 0.42 ' CB ' ' HG2' ' A' ' 71' ' ' GLN . 24.2 Cg_endo -91.64 -23.48 0.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.302 2.668 . . . . 1.15 112.823 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -84.61 -1.41 55.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.342 . . . . 1.77 111.227 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 196' ' ' THR . . . . . 0.522 ' O ' ' CE1' ' B' ' 198' ' ' TYR . 6.4 p -121.28 51.56 2.62 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.6 -0.273 . . . . 1.86 110.863 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 197' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' B' ' 196' ' ' THR . 61.4 Cg_endo -72.94 143.18 36.13 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.272 1.981 . . . . 0.91 112.0 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 198' ' ' TYR . . . . . 0.69 ' HB2' ' HB ' ' B' ' 188' ' ' VAL . 0.2 OUTLIER -107.79 100.87 10.2 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 108.911 -0.774 . . . . 1.35 108.911 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 199' ' ' LEU . . . . . 0.941 HD23 ' N ' ' B' ' 200' ' ' ASP . 4.4 tt -98.95 143.87 28.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.565 -0.743 . . . . 2.08 112.44 -177.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 200' ' ' ASP . . . . . 0.941 ' N ' HD23 ' B' ' 199' ' ' LEU . 55.0 m-20 -139.37 113.03 8.44 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.571 -0.74 . . . . 1.94 110.639 179.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ILE . . . . . 0.788 HG23 HD21 ' B' ' 199' ' ' LEU . 1.1 pp -126.21 -56.16 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 2.15 111.627 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' THR . . . . . . . . . . . . . 26.3 m -163.33 142.49 8.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 4.02 111.111 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -170.13 85.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 5.39 110.822 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.284 -0.865 . . . . 4.36 110.94 179.993 . . . . . . . . 0 0 . 1 stop_ save_