data_1txa_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 1txa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 15' ' ' PRO . 4.4 t . . . . . 0 CA--C 1.472 -2.027 1 N-CA-C 98.963 -4.458 . . . . 3.17 98.963 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.563 ' HG2' ' SG ' ' A' ' 21' ' ' CYS 0.283 1.1 tmmt? -152.31 -154.65 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 113.013 -3.475 . . . . 4.84 105.491 -172.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.549 ' N ' ' SG ' ' A' ' 21' ' ' CYS . 29.7 p -107.95 -119.72 0.26 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.968 -1.493 . . . . 1.86 106.968 171.76 65.999 -61.779 -164.881 96.082 1.996 94.407 -120.16 -94.17 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS 0.489 16.1 m-30 123.8 -161.7 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.504 0 C-N-CA 131.346 3.858 . . . . 6.17 110.443 -153.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG21 ' CD2' ' A' ' 40' ' ' LEU . 26.8 m -119.73 -59.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 C-N-CA 130.421 3.488 . . . . 2.41 110.187 157.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.475 ' H ' HG21 ' A' ' 5' ' ' VAL . 5.6 m -30.2 105.95 0.22 Allowed Pre-proline 0 C--N 1.382 2.001 0 O-C-N 124.519 1.137 . . . . 2.97 109.862 -146.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.89 119.8 3.31 Favored 'Trans proline' 0 N--CA 1.425 -2.544 1 N-CA-C 98.274 -5.318 . . . . 4.81 98.274 -167.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.66 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 127.75 3.643 . . . . 5.97 106.762 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.337 . . -115.05 -159.07 0.69 Allowed 'General case' 0 N--CA 1.391 -3.388 2 CA-C-N 103.539 -6.209 . . . . 2.46 98.775 176.837 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -83.72 -178.43 7.01 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 100.977 -3.712 . . . . 2.63 100.977 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.3 38.5 m -142.52 65.8 1.34 Allowed 'General case' 0 N--CA 1.405 -2.683 0 CA-C-N 110.035 -3.257 . . . . 4.34 108.583 -165.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 7.8 pt20 -145.54 94.71 2.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 127.706 3.129 . . . . 3.05 109.513 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 -177.22 5.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 111.846 -2.433 . . . . 2.87 106.767 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.481 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 1.8 t 65.59 84.62 0.17 Allowed Pre-proline 0 N--CA 1.443 -0.817 0 CA-C-N 110.341 -3.118 . . . . 1.74 106.474 -168.062 -149.649 -167.634 106.593 92.69 2.026 105.211 -163.685 -30.748 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HA ' ' HA ' ' A' ' 1' ' ' THR . 14.0 Cg_endo -64.32 -63.86 0.07 OUTLIER 'Trans proline' 0 CA--C 1.478 -2.314 0 C-N-CA 121.841 1.694 . . . . 2.93 110.486 -176.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 24.78 -77.76 0.0 OUTLIER 'General case' 0 CA--C 1.45 -2.897 1 O-C-N 131.269 5.356 . . . . 3.7 109.475 -174.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.572 ' HA2' ' CG ' ' A' ' 18' ' ' GLN . . . -100.45 -123.85 5.2 Favored Glycine 1 N--CA 1.384 -4.79 1 CA-C-N 107.89 -4.232 . . . . 3.82 117.461 179.133 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.572 ' CG ' ' HA2' ' A' ' 17' ' ' GLY . 8.6 mt-30 -177.64 -0.98 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.187 1 CA-C-N 99.41 -8.395 . . . . 5.41 107.182 -90.069 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . 0.258 65.4 m-20 -133.17 -122.67 0.18 Allowed 'General case' 0 N--CA 1.397 -3.118 2 N-CA-C 96.018 -5.549 . . . . 4.06 96.018 -130.575 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.768 ' CG1' ' HB3' ' A' ' 43' ' ' ALA 0.254 0.1 OUTLIER -154.65 166.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.411 -2.41 0 C-N-CA 113.363 -3.335 . . . . 2.47 103.197 -166.812 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.563 ' SG ' ' HG2' ' A' ' 2' ' ' LYS 0.29 1.3 m -95.61 127.7 41.87 Favored 'General case' 0 N--CA 1.41 -2.432 1 CA-C-N 106.232 -4.986 . . . . 1.47 103.671 163.641 -94.17 -120.16 -164.881 94.407 1.996 96.082 -61.779 65.999 4 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -127.18 136.41 52.02 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.349 -2.093 . . . . 2.45 105.349 169.088 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -125.12 126.51 45.42 Favored 'General case' 0 N--CA 1.442 -0.869 0 O-C-N 126.493 2.371 . . . . 3.05 106.883 170.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.469 ' O ' ' CG2' ' A' ' 25' ' ' THR . 0.0 OUTLIER -128.43 142.78 50.99 Favored 'General case' 0 CA--C 1.498 -1.04 0 C-N-CA 118.343 -1.343 . . . . 2.08 108.583 174.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.693 ' CG2' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -142.87 -131.52 0.09 Allowed 'General case' 0 CA--C 1.451 -2.839 0 N-CA-C 118.219 2.674 . . . . 2.76 118.219 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . 0.268 0.0 OUTLIER -136.33 -87.04 0.33 Allowed 'General case' 0 N--CA 1.388 -3.555 1 N-CA-C 100.085 -4.042 . . . . 4.37 100.085 -160.587 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -106.14 158.51 16.78 Favored 'General case' 0 N--CA 1.413 -2.301 0 CA-C-N 110.864 -2.88 . . . . 2.23 106.657 -174.608 -35.353 161.276 101.786 85.485 2.035 110.307 -170.692 86.322 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.5 91.42 1.4 Allowed 'General case' 0 N--CA 1.417 -2.103 1 CA-C-N 108.166 -4.106 . . . . 3.45 107.964 169.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.01 -41.71 0.23 Allowed Glycine 0 CA--C 1.486 -1.742 1 C-N-CA 112.05 -4.881 . . . . 2.56 110.576 150.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.53 -6.05 1.55 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 117.404 -1.718 . . . . 4.05 113.122 -169.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.542 ' SG ' ' OG ' ' A' ' 32' ' ' SER . 1.6 p -91.1 -43.28 10.0 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 116.823 -1.951 . . . . 1.69 108.284 -169.63 86.322 -170.692 101.786 110.307 2.035 85.485 161.276 -35.353 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.542 ' OG ' ' SG ' ' A' ' 31' ' ' CYS . 0.4 OUTLIER -147.81 35.27 0.85 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.954 -1.93 . . . . 2.62 108.419 -175.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.281 92.8 p -76.18 29.54 0.12 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.168 -1.378 . . . . 4.34 113.067 -156.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 69' ' ' TRP 0.393 0.0 OUTLIER -151.22 6.9 0.5 Allowed 'General case' 0 N--CA 1.392 -3.358 0 CA-C-N 112.991 -1.913 . . . . 5.4 111.701 -165.771 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.45 -69.93 0.82 Allowed Glycine 0 N--CA 1.416 -2.68 2 N-CA-C 99.124 -5.59 . . . . 3.41 99.124 171.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.643 ' HD3' HH21 ' A' ' 37' ' ' ARG 0.398 22.5 tttt -174.41 -149.3 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.8 2 CA-C-N 106.038 -5.081 . . . . 4.38 99.697 -118.938 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.661 ' CA ' HG13 ' A' ' 38' ' ' ILE 0.755 0.0 OUTLIER 160.3 -30.3 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 130.54 3.536 . . . . 7.15 111.317 169.262 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.693 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 5.6 mt -138.07 137.36 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 O-C-N 128.434 3.584 . . . . 4.98 107.824 -110.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' O ' HG21 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -117.66 151.53 37.04 Favored 'General case' 0 N--CA 1.387 -3.585 3 CA-C-N 104.395 -5.821 . . . . 2.3 98.224 -178.468 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.65 ' CD2' HG21 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -156.51 163.44 39.4 Favored 'General case' 0 C--N 1.277 -2.551 2 N-CA-C 98.44 -4.652 . . . . 4.02 98.44 -158.74 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.65 -174.9 31.05 Favored Glycine 0 N--CA 1.415 -2.755 0 O-C-N 128.386 3.554 . . . . 1.55 104.49 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.478 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 1.8 m -102.58 102.3 12.52 Favored 'General case' 0 CA--C 1.47 -2.12 2 N-CA-C 100.043 -4.058 . . . . 1.71 100.043 172.942 -30.748 -163.685 106.593 105.211 2.026 92.69 -167.634 -149.649 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.768 ' HB3' ' CG1' ' A' ' 20' ' ' ILE 0.433 . . -30.92 177.96 0.0 OUTLIER 'General case' 0 N--CA 1.382 -3.854 2 CA-C-N 104.412 -5.813 . . . . 2.99 120.974 -178.122 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' O ' ' OG1' ' A' ' 45' ' ' THR 0.254 . . -177.9 29.43 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.688 2 CA-C-N 101.583 -7.099 . . . . 3.21 111.364 174.468 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 44' ' ' ALA . 0.2 OUTLIER 117.76 125.3 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 122.526 2.421 . . . . 3.71 107.583 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -106.49 104.39 50.44 Favored Pre-proline 0 CA--C 1.499 -0.984 0 N-CA-C 106.805 -1.554 . . . . 2.26 106.805 160.771 -102.052 77.66 72.3 94.106 1.988 96.916 86.073 -76.733 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -85.44 -145.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.872 0 N-CA-C 106.291 -2.234 . . . . 4.38 106.291 172.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.601 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -150.75 62.97 0.93 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.1 -2.773 . . . . 4.75 104.763 -158.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' N ' ' NZ ' ' A' ' 50' ' ' LYS 0.267 2.3 t -136.37 117.55 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.917 1 N-CA-C 96.081 -5.525 . . . . 3.15 96.081 166.871 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.601 ' NZ ' ' HA ' ' A' ' 48' ' ' LYS 0.312 0.1 OUTLIER -158.78 138.87 8.83 Favored Pre-proline 0 CA--C 1.46 -2.488 0 N-CA-C 100.575 -3.861 . . . . 6.19 100.575 167.664 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.65 -97.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.087 0 O-C-N 127.674 3.46 . . . . 2.61 105.418 166.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.96 -18.56 6.8 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 126.232 2.208 . . . . 1.98 112.203 -159.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 25' ' ' THR . 26.9 m -74.97 145.1 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-N 113.533 -1.334 . . . . 1.95 109.57 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.08 120.82 28.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.607 2.442 . . . . 2.8 109.296 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 HG12 ' HG2' ' A' ' 24' ' ' LYS . 2.5 mt -126.42 129.05 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 106.753 -1.573 . . . . 1.8 106.753 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -130.0 139.58 51.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 104.347 -2.464 . . . . 3.17 104.347 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 22' ' ' TYR . 47.1 m -135.95 154.82 50.99 Favored 'General case' 0 CA--C 1.518 -0.261 0 O-C-N 125.103 1.502 . . . . 1.31 108.024 167.823 -76.733 86.073 72.3 96.916 1.988 94.106 77.66 -102.052 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 29.0 p -157.39 130.06 7.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 106.553 -1.647 . . . . 1.51 106.553 175.601 61.915 157.775 -142.937 106.447 1.993 90.946 144.987 -173.022 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.736 ' CA ' HG23 ' A' ' 20' ' ' ILE . 6.1 p -77.34 167.64 21.36 Favored 'General case' 0 CA--C 1.439 -3.313 0 N-CA-C 104.713 -2.329 . . . . 1.76 104.713 174.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.492 ' CG2' ' H ' ' A' ' 61' ' ' ASP . 87.9 m 124.92 -139.42 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.989 1 O-C-N 129.685 4.366 . . . . 2.57 100.848 -169.204 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.492 ' H ' ' CG2' ' A' ' 60' ' ' THR 0.264 0.9 OUTLIER -129.51 -91.84 0.46 Allowed 'General case' 0 N--CA 1.432 -1.359 1 N-CA-C 99.223 -4.362 . . . . 2.82 99.223 -173.971 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.502 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 67.0 m-20 -84.21 -8.76 58.96 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-N 110.323 -3.126 . . . . 2.39 107.452 -159.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.8 t 43.58 -106.9 0.1 Allowed 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 101.962 -3.347 . . . . 2.22 101.962 -172.123 -173.022 144.987 -142.937 90.946 1.993 106.447 157.775 61.915 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.63 ' CG ' ' CD ' ' A' ' 65' ' ' PRO 2.362 2.9 m120 -4.78 106.26 0.03 OUTLIER Pre-proline 0 N--CA 1.433 -1.31 4 N-CA-C 134.774 8.805 . . . . 4.78 134.774 153.615 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 66' ' ' PHE 0.258 0.5 OUTLIER -82.7 -47.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.176 1 N-CA-C 98.891 -5.08 . . . . 5.62 98.891 166.399 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.653 ' N ' ' CD ' ' A' ' 65' ' ' PRO 2.019 0.5 OUTLIER -59.7 72.68 0.0 OUTLIER Pre-proline 0 CA--C 1.431 -3.608 1 C-N-CA 137.258 6.223 . . . . 6.75 103.59 -122.78 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.562 ' HG2' ' CG ' ' A' ' 73' ' ' HIS . 20.8 Cg_endo -67.55 -44.03 4.98 Favored 'Trans proline' 0 N--CA 1.432 -2.133 0 C-N-CA 113.865 -3.623 . . . . 3.58 105.213 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.618 ' CG2' ' HB2' ' A' ' 66' ' ' PHE 0.382 0.1 OUTLIER 28.76 142.17 0.0 OUTLIER 'General case' 0 CA--C 1.453 -2.769 1 CA-C-O 132.668 5.985 . . . . 5.0 116.609 176.975 . . . . . . . . 5 4 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TRP . . . . . 0.57 ' HB2' ' HA ' ' A' ' 73' ' ' HIS 0.293 0.0 OUTLIER -131.58 -61.86 0.89 Allowed 'General case' 2 CA--C 1.369 -5.985 2 CA-C-N 98.957 -8.292 . . . . 7.16 102.051 -135.113 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.42 ' HA ' ' HG2' ' A' ' 34' ' ' ARG 0.414 0.0 OUTLIER -150.83 -12.6 0.23 Allowed 'General case' 0 C--N 1.254 -3.577 0 CA-C-N 109.42 -3.537 . . . . 6.42 103.978 -162.851 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.688 ' HG2' HH11 ' A' ' 71' ' ' ARG 0.623 0.3 OUTLIER 171.45 1.68 0.0 OUTLIER 'General case' 1 N--CA 1.363 -4.784 2 CA-C-N 107.811 -4.268 . . . . 8.22 117.797 -165.785 . . . . . . . . 6 4 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 66' ' ' PHE 0.282 0.0 OUTLIER 69.11 75.07 0.25 Allowed 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 126.64 3.114 . . . . 8.01 112.033 -139.633 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.57 ' HA ' ' HB2' ' A' ' 69' ' ' TRP 0.634 3.2 t60 . . . . . 1 C--O 3.511 120.092 3 CA-C-O 84.068 -17.158 . . . . 8.53 108.856 88.399 . . . . . . . . 4 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.512 HG23 ' OD1' ' A' ' 62' ' ' ASN . 4.4 t . . . . . 0 CA--C 1.472 -2.027 1 N-CA-C 98.963 -4.458 . . . . 2.82 98.963 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 42' ' ' CYS 0.283 1.1 tmmt? -152.31 -154.65 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 113.013 -3.475 . . . . 4.44 105.491 -172.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 29.7 p -107.95 -119.72 0.26 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.968 -1.493 . . . . 1.86 106.968 171.76 65.999 -61.779 -164.881 96.082 1.996 94.407 -120.16 -94.17 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS 0.489 16.1 m-30 123.8 -161.7 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.504 0 C-N-CA 131.346 3.858 . . . . 5.69 110.443 -153.354 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.056 HG22 HD23 ' A' ' 40' ' ' LEU . 26.8 m -119.73 -59.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 C-N-CA 130.421 3.488 . . . . 2.41 110.187 157.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 5' ' ' VAL . 5.6 m -30.2 105.95 0.22 Allowed Pre-proline 0 C--N 1.382 2.001 0 O-C-N 124.519 1.137 . . . . 2.72 109.862 -146.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.89 119.8 3.31 Favored 'Trans proline' 0 N--CA 1.425 -2.544 1 N-CA-C 98.274 -5.318 . . . . 4.13 98.274 -167.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.66 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 127.75 3.643 . . . . 5.97 106.762 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.337 . . -115.05 -159.07 0.69 Allowed 'General case' 0 N--CA 1.391 -3.388 2 CA-C-N 103.539 -6.209 . . . . 2.19 98.775 176.837 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -83.72 -178.43 7.01 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 100.977 -3.712 . . . . 2.53 100.977 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 4' ' ' TYR 0.3 38.5 m -142.52 65.8 1.34 Allowed 'General case' 0 N--CA 1.405 -2.683 0 CA-C-N 110.035 -3.257 . . . . 4.3 108.583 -165.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 7.8 pt20 -145.54 94.71 2.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 127.706 3.129 . . . . 2.48 109.513 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 -177.22 5.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 111.846 -2.433 . . . . 2.21 106.767 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 1.8 t 65.59 84.62 0.17 Allowed Pre-proline 0 N--CA 1.443 -0.817 0 CA-C-N 110.341 -3.118 . . . . 1.39 106.474 -168.062 -149.649 -167.634 106.593 92.69 2.026 105.211 -163.685 -30.748 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 1' ' ' THR . 14.0 Cg_endo -64.32 -63.86 0.07 OUTLIER 'Trans proline' 0 CA--C 1.478 -2.314 0 C-N-CA 121.841 1.694 . . . . 2.66 110.486 -176.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 24.78 -77.76 0.0 OUTLIER 'General case' 0 CA--C 1.45 -2.897 1 O-C-N 131.269 5.356 . . . . 3.7 109.475 -174.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.921 ' HA2' ' HG3' ' A' ' 18' ' ' GLN . . . -100.45 -123.85 5.2 Favored Glycine 1 N--CA 1.384 -4.79 1 CA-C-N 107.89 -4.232 . . . . 2.98 117.461 179.133 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.921 ' HG3' ' HA2' ' A' ' 17' ' ' GLY . 8.6 mt-30 -177.64 -0.98 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.187 1 CA-C-N 99.41 -8.395 . . . . 4.99 107.182 -90.069 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 43' ' ' ALA 0.258 65.4 m-20 -133.17 -122.67 0.18 Allowed 'General case' 0 N--CA 1.397 -3.118 2 N-CA-C 96.018 -5.549 . . . . 4.06 96.018 -130.575 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 1.272 HG12 ' CB ' ' A' ' 43' ' ' ALA 0.254 0.1 OUTLIER -154.65 166.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.411 -2.41 0 C-N-CA 113.363 -3.335 . . . . 1.67 103.197 -166.812 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.627 ' SG ' ' HG2' ' A' ' 2' ' ' LYS 0.29 1.3 m -95.61 127.7 41.87 Favored 'General case' 0 N--CA 1.41 -2.432 1 CA-C-N 106.232 -4.986 . . . . 1.18 103.671 163.641 -94.17 -120.16 -164.881 94.407 1.996 96.082 -61.779 65.999 4 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.671 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -127.18 136.41 52.02 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.349 -2.093 . . . . 1.79 105.349 169.088 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.772 HG22 HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -125.12 126.51 45.42 Favored 'General case' 0 N--CA 1.442 -0.869 0 O-C-N 126.493 2.371 . . . . 2.27 106.883 170.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -128.43 142.78 50.99 Favored 'General case' 0 CA--C 1.498 -1.04 0 C-N-CA 118.343 -1.343 . . . . 1.67 108.583 174.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.923 ' CG2' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -142.87 -131.52 0.09 Allowed 'General case' 0 CA--C 1.451 -2.839 0 N-CA-C 118.219 2.674 . . . . 2.11 118.219 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.428 ' H ' ' HB ' ' A' ' 25' ' ' THR 0.268 0.0 OUTLIER -136.33 -87.04 0.33 Allowed 'General case' 0 N--CA 1.388 -3.555 1 N-CA-C 100.085 -4.042 . . . . 3.64 100.085 -160.587 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -106.14 158.51 16.78 Favored 'General case' 0 N--CA 1.413 -2.301 0 CA-C-N 110.864 -2.88 . . . . 1.51 106.657 -174.608 -35.353 161.276 101.786 85.485 2.035 110.307 -170.692 86.322 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.5 91.42 1.4 Allowed 'General case' 0 N--CA 1.417 -2.103 1 CA-C-N 108.166 -4.106 . . . . 3.45 107.964 169.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.01 -41.71 0.23 Allowed Glycine 0 CA--C 1.486 -1.742 1 C-N-CA 112.05 -4.881 . . . . 2.25 110.576 150.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.53 -6.05 1.55 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 117.404 -1.718 . . . . 3.38 113.122 -169.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 32' ' ' SER . 1.6 p -91.1 -43.28 10.0 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 116.823 -1.951 . . . . 1.69 108.284 -169.63 86.322 -170.692 101.786 110.307 2.035 85.485 161.276 -35.353 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.562 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -147.81 35.27 0.85 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.954 -1.93 . . . . 2.62 108.419 -175.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.281 92.8 p -76.18 29.54 0.12 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.168 -1.378 . . . . 3.84 113.067 -156.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HG2' ' HA ' ' A' ' 70' ' ' LYS 0.393 0.0 OUTLIER -151.22 6.9 0.5 Allowed 'General case' 0 N--CA 1.392 -3.358 0 CA-C-N 112.991 -1.913 . . . . 4.85 111.701 -165.771 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.45 -69.93 0.82 Allowed Glycine 0 N--CA 1.416 -2.68 2 N-CA-C 99.124 -5.59 . . . . 2.84 99.124 171.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.794 ' HG2' ' H ' ' A' ' 37' ' ' ARG 0.398 22.5 tttt -174.41 -149.3 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.8 2 CA-C-N 106.038 -5.081 . . . . 3.74 99.697 -118.938 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.875 ' CA ' HG13 ' A' ' 38' ' ' ILE 0.755 0.0 OUTLIER 160.3 -30.3 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 130.54 3.536 . . . . 6.5 111.317 169.262 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.923 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 5.6 mt -138.07 137.36 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 O-C-N 128.434 3.584 . . . . 4.38 107.824 -110.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.66 151.53 37.04 Favored 'General case' 0 N--CA 1.387 -3.585 3 CA-C-N 104.395 -5.821 . . . . 2.3 98.224 -178.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.056 HD23 HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -156.51 163.44 39.4 Favored 'General case' 0 C--N 1.277 -2.551 2 N-CA-C 98.44 -4.652 . . . . 3.5 98.44 -158.74 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.65 -174.9 31.05 Favored Glycine 0 N--CA 1.415 -2.755 0 O-C-N 128.386 3.554 . . . . 1.17 104.49 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.722 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 1.8 m -102.58 102.3 12.52 Favored 'General case' 0 CA--C 1.47 -2.12 2 N-CA-C 100.043 -4.058 . . . . 1.71 100.043 172.942 -30.748 -163.685 106.593 105.211 2.026 92.69 -167.634 -149.649 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 1.272 ' CB ' HG12 ' A' ' 20' ' ' ILE 0.433 . . -30.92 177.96 0.0 OUTLIER 'General case' 0 N--CA 1.382 -3.854 2 CA-C-N 104.412 -5.813 . . . . 2.45 120.974 -178.122 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' O ' ' OG1' ' A' ' 45' ' ' THR 0.254 . . -177.9 29.43 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.688 2 CA-C-N 101.583 -7.099 . . . . 2.68 111.364 174.468 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.87 ' H ' HD11 ' A' ' 20' ' ' ILE . 0.2 OUTLIER 117.76 125.3 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 122.526 2.421 . . . . 3.16 107.583 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -106.49 104.39 50.44 Favored Pre-proline 0 CA--C 1.499 -0.984 0 N-CA-C 106.805 -1.554 . . . . 1.88 106.805 160.771 -102.052 77.66 72.3 94.106 1.988 96.916 86.073 -76.733 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 83.5 Cg_endo -85.44 -145.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.872 0 N-CA-C 106.291 -2.234 . . . . 3.57 106.291 172.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -150.75 62.97 0.93 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.1 -2.773 . . . . 4.3 104.763 -158.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' N ' ' NZ ' ' A' ' 50' ' ' LYS 0.267 2.3 t -136.37 117.55 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.917 1 N-CA-C 96.081 -5.525 . . . . 2.7 96.081 166.871 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.669 ' NZ ' ' HA ' ' A' ' 48' ' ' LYS 0.312 0.1 OUTLIER -158.78 138.87 8.83 Favored Pre-proline 0 CA--C 1.46 -2.488 0 N-CA-C 100.575 -3.861 . . . . 5.71 100.575 167.664 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.65 -97.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.087 0 O-C-N 127.674 3.46 . . . . 2.24 105.418 166.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.96 -18.56 6.8 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 126.232 2.208 . . . . 1.66 112.203 -159.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 25' ' ' THR . 26.9 m -74.97 145.1 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-N 113.533 -1.334 . . . . 1.43 109.57 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.08 120.82 28.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.607 2.442 . . . . 2.8 109.296 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.54 HD12 ' HD3' ' A' ' 50' ' ' LYS . 2.5 mt -126.42 129.05 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 106.753 -1.573 . . . . 1.3 106.753 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -130.0 139.58 51.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 104.347 -2.464 . . . . 2.74 104.347 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 22' ' ' TYR . 47.1 m -135.95 154.82 50.99 Favored 'General case' 0 CA--C 1.518 -0.261 0 O-C-N 125.103 1.502 . . . . 1.31 108.024 167.823 -76.733 86.073 72.3 96.916 1.988 94.106 77.66 -102.052 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 29.0 p -157.39 130.06 7.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 106.553 -1.647 . . . . 1.51 106.553 175.601 61.915 157.775 -142.937 106.447 1.993 90.946 144.987 -173.022 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.833 ' CA ' HG22 ' A' ' 20' ' ' ILE . 6.1 p -77.34 167.64 21.36 Favored 'General case' 0 CA--C 1.439 -3.313 0 N-CA-C 104.713 -2.329 . . . . 1.74 104.713 174.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' H ' ' A' ' 61' ' ' ASP . 87.9 m 124.92 -139.42 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.989 1 O-C-N 129.685 4.366 . . . . 1.78 100.848 -169.204 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 60' ' ' THR 0.264 0.9 OUTLIER -129.51 -91.84 0.46 Allowed 'General case' 0 N--CA 1.432 -1.359 1 N-CA-C 99.223 -4.362 . . . . 2.43 99.223 -173.971 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 67.0 m-20 -84.21 -8.76 58.96 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-N 110.323 -3.126 . . . . 2.39 107.452 -159.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 44.8 t 43.58 -106.9 0.1 Allowed 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 101.962 -3.347 . . . . 2.22 101.962 -172.123 -173.022 144.987 -142.937 90.946 1.993 106.447 157.775 61.915 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.794 ' CG ' ' HD3' ' A' ' 65' ' ' PRO 2.362 45.7 m-20 -4.78 106.26 0.03 OUTLIER Pre-proline 0 N--CA 1.433 -1.31 4 N-CA-C 134.774 8.805 . . . . 4.07 134.774 153.615 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.794 ' HD3' ' CG ' ' A' ' 64' ' ' ASN 0.258 0.5 OUTLIER -82.7 -47.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.176 1 N-CA-C 98.891 -5.08 . . . . 4.78 98.891 166.399 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.75 ' HB2' ' CG2' ' A' ' 68' ' ' THR 2.019 0.5 OUTLIER -59.7 72.68 0.0 OUTLIER Pre-proline 0 CA--C 1.431 -3.608 1 C-N-CA 137.258 6.223 . . . . 6.15 103.59 -122.78 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HG2' ' CG ' ' A' ' 73' ' ' HIS . 20.8 Cg_endo -67.55 -44.03 4.98 Favored 'Trans proline' 0 N--CA 1.432 -2.133 0 C-N-CA 113.865 -3.623 . . . . 2.95 105.213 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.75 ' CG2' ' HB2' ' A' ' 66' ' ' PHE 0.382 0.1 OUTLIER 28.76 142.17 0.0 OUTLIER 'General case' 0 CA--C 1.453 -2.769 1 CA-C-O 132.668 5.985 . . . . 4.14 116.609 176.975 . . . . . . . . 5 4 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TRP . . . . . 0.655 ' O ' ' HA ' ' A' ' 34' ' ' ARG 0.293 0.0 OUTLIER -131.58 -61.86 0.89 Allowed 'General case' 2 CA--C 1.369 -5.985 2 CA-C-N 98.957 -8.292 . . . . 6.23 102.051 -135.113 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 34' ' ' ARG 0.414 0.0 OUTLIER -150.83 -12.6 0.23 Allowed 'General case' 0 C--N 1.254 -3.577 0 CA-C-N 109.42 -3.537 . . . . 5.79 103.978 -162.851 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG2' HH11 ' A' ' 71' ' ' ARG 0.623 0.3 OUTLIER 171.45 1.68 0.0 OUTLIER 'General case' 1 N--CA 1.363 -4.784 2 CA-C-N 107.811 -4.268 . . . . 7.76 117.797 -165.785 . . . . . . . . 6 4 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 73' ' ' HIS 0.282 0.0 OUTLIER 69.11 75.07 0.25 Allowed 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 126.64 3.114 . . . . 7.61 112.033 -139.633 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CG ' ' HG2' ' A' ' 67' ' ' PRO 0.634 3.2 t60 . . . . . 1 C--O 3.511 120.092 3 CA-C-O 84.068 -17.158 . . . . 8.31 108.856 88.399 . . . . . . . . 4 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.512 HG23 ' OD1' ' A' ' 62' ' ' ASN . 4.4 t . . . . . 0 CA--C 1.472 -2.027 1 N-CA-C 98.963 -4.458 . . . . 2.8199999999999998 98.963 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.722 ' HE2' ' HA ' ' A' ' 42' ' ' CYS 0.283 1.1 tmmt? -152.31 -154.65 0.55 Allowed 'General case' 0 N--CA 1.433 -1.308 0 C-N-CA 113.013 -3.475 . . . . 4.4400000000000004 105.491 -172.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.626 ' HB3' ' O ' ' A' ' 62' ' ' ASN . 29.7 p -107.95 -119.72 0.26 Allowed 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 106.968 -1.493 . . . . 1.8600000000000001 106.968 171.76 65.999 -61.779 -164.881 96.082 1.996 94.407 -120.16 -94.17 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' N ' ' SG ' ' A' ' 3' ' ' CYS 0.489 16.1 m-30 123.8 -161.7 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.504 0 C-N-CA 131.346 3.858 . . . . 5.6900000000000004 110.443 -153.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.056 HG22 HD23 ' A' ' 40' ' ' LEU . 26.8 m -119.73 -59.64 2.76 Favored 'Isoleucine or valine' 0 C--N 1.37 1.48 0 C-N-CA 130.421 3.488 . . . . 2.4100000000000001 110.187 157.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.42 ' N ' HG23 ' A' ' 5' ' ' VAL . 5.6 m -30.2 105.95 0.22 Allowed Pre-proline 0 C--N 1.382 2.001 0 O-C-N 124.519 1.137 . . . . 2.7200000000000002 109.862 -146.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.89 119.8 3.31 Favored 'Trans proline' 0 N--CA 1.425 -2.544 1 N-CA-C 98.274 -5.318 . . . . 4.1299999999999999 98.274 -167.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -162.66 -53.08 0.04 OUTLIER 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 127.75 3.643 . . . . 5.9699999999999998 106.762 176.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . 0.337 . . -115.05 -159.07 0.69 Allowed 'General case' 0 N--CA 1.391 -3.388 2 CA-C-N 103.539 -6.209 . . . . 2.1899999999999999 98.775 176.837 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -83.72 -178.43 7.01 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 100.977 -3.712 . . . . 2.5299999999999998 100.977 166.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 4' ' ' TYR 0.3 38.5 m -142.52 65.8 1.34 Allowed 'General case' 0 N--CA 1.405 -2.683 0 CA-C-N 110.035 -3.257 . . . . 4.2999999999999998 108.583 -165.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.526 ' HA ' ' O ' ' A' ' 2' ' ' LYS . 7.8 pt20 -145.54 94.71 2.54 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 127.706 3.129 . . . . 2.48 109.513 174.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.12 -177.22 5.91 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 111.846 -2.433 . . . . 2.21 106.767 -175.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.498 ' HB3' ' HE3' ' A' ' 2' ' ' LYS . 1.8 t 65.59 84.62 0.17 Allowed Pre-proline 0 N--CA 1.443 -0.817 0 CA-C-N 110.341 -3.118 . . . . 1.3899999999999999 106.474 -168.062 -149.649 -167.634 106.593 92.69 2.026 105.211 -163.685 -30.748 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.496 ' HA ' ' HA ' ' A' ' 1' ' ' THR . 14.0 Cg_endo -64.32 -63.86 0.07 OUTLIER 'Trans proline' 0 CA--C 1.478 -2.314 0 C-N-CA 121.841 1.694 . . . . 2.6600000000000001 110.486 -176.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 24.78 -77.76 0.0 OUTLIER 'General case' 0 CA--C 1.45 -2.897 1 O-C-N 131.269 5.356 . . . . 3.7000000000000002 109.475 -174.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.921 ' HA2' ' HG3' ' A' ' 18' ' ' GLN . . . -100.45 -123.85 5.2 Favored Glycine 1 N--CA 1.384 -4.79 1 CA-C-N 107.89 -4.232 . . . . 2.98 117.461 179.133 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.921 ' HG3' ' HA2' ' A' ' 17' ' ' GLY . 8.6 mt-30 -177.64 -0.98 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.187 1 CA-C-N 99.41 -8.395 . . . . 4.9900000000000002 107.182 -90.069 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.51 ' HB3' ' HB3' ' A' ' 43' ' ' ALA 0.258 65.4 m-20 -133.17 -122.67 0.18 Allowed 'General case' 0 N--CA 1.397 -3.118 2 N-CA-C 96.018 -5.549 . . . . 4.0599999999999996 96.018 -130.575 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 1.272 HG12 ' CB ' ' A' ' 43' ' ' ALA 0.254 0.1 OUTLIER -154.65 166.7 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.411 -2.41 0 C-N-CA 113.363 -3.335 . . . . 1.6699999999999999 103.197 -166.812 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.627 ' SG ' ' HG2' ' A' ' 2' ' ' LYS 0.29 1.3 m -95.61 127.7 41.87 Favored 'General case' 0 N--CA 1.41 -2.432 1 CA-C-N 106.232 -4.986 . . . . 1.1799999999999999 103.671 163.641 -94.17 -120.16 -164.881 94.407 1.996 96.082 -61.779 65.999 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.671 ' HB2' ' SG ' ' A' ' 57' ' ' CYS . 0.0 OUTLIER -127.18 136.41 52.02 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 105.349 -2.093 . . . . 1.79 105.349 169.088 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.772 HG22 HG22 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -125.12 126.51 45.42 Favored 'General case' 0 N--CA 1.442 -0.869 0 O-C-N 126.493 2.371 . . . . 2.27 106.883 170.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 25' ' ' THR . 0.0 OUTLIER -128.43 142.78 50.99 Favored 'General case' 0 CA--C 1.498 -1.04 0 C-N-CA 118.343 -1.343 . . . . 1.6699999999999999 108.583 174.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.923 ' CG2' ' HA ' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -142.87 -131.52 0.09 Allowed 'General case' 0 CA--C 1.451 -2.839 0 N-CA-C 118.219 2.674 . . . . 2.1099999999999999 118.219 177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.428 ' H ' ' HB ' ' A' ' 25' ' ' THR 0.268 0.0 OUTLIER -136.33 -87.04 0.33 Allowed 'General case' 0 N--CA 1.388 -3.555 1 N-CA-C 100.085 -4.042 . . . . 3.6400000000000001 100.085 -160.587 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.8 m -106.14 158.51 16.78 Favored 'General case' 0 N--CA 1.413 -2.301 0 CA-C-N 110.864 -2.88 . . . . 1.51 106.657 -174.608 -35.353 161.276 101.786 85.485 2.035 110.307 -170.692 86.322 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -154.5 91.42 1.4 Allowed 'General case' 0 N--CA 1.417 -2.103 1 CA-C-N 108.166 -4.106 . . . . 3.4500000000000002 107.964 169.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 168.01 -41.71 0.23 Allowed Glycine 0 CA--C 1.486 -1.742 1 C-N-CA 112.05 -4.881 . . . . 2.25 110.576 150.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -138.53 -6.05 1.55 Allowed 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 117.404 -1.718 . . . . 3.3799999999999999 113.122 -169.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' SG ' ' N ' ' A' ' 32' ' ' SER . 1.6 p -91.1 -43.28 10.0 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 116.823 -1.951 . . . . 1.6899999999999999 108.284 -169.63 86.322 -170.692 101.786 110.307 2.035 85.485 161.276 -35.353 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.562 ' HB2' ' NE ' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -147.81 35.27 0.85 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 112.954 -1.93 . . . . 2.6200000000000001 108.419 -175.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . 0.281 92.8 p -76.18 29.54 0.12 Allowed 'General case' 0 CA--C 1.504 -0.813 0 CA-C-N 114.168 -1.378 . . . . 3.8399999999999999 113.067 -156.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.686 ' HG2' ' HA ' ' A' ' 70' ' ' LYS 0.393 0.0 OUTLIER -151.22 6.9 0.5 Allowed 'General case' 0 N--CA 1.392 -3.358 0 CA-C-N 112.991 -1.913 . . . . 4.8499999999999996 111.701 -165.771 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.45 -69.93 0.82 Allowed Glycine 0 N--CA 1.416 -2.68 2 N-CA-C 99.124 -5.59 . . . . 2.8399999999999999 99.124 171.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.794 ' HG2' ' H ' ' A' ' 37' ' ' ARG 0.398 22.5 tttt -174.41 -149.3 0.04 OUTLIER 'General case' 0 N--CA 1.423 -1.8 2 CA-C-N 106.038 -5.081 . . . . 3.7400000000000002 99.697 -118.938 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.875 ' CA ' HG13 ' A' ' 38' ' ' ILE 0.755 0.0 OUTLIER 160.3 -30.3 0.0 OUTLIER 'General case' 0 CA--C 1.49 -1.348 0 C-N-CA 130.54 3.536 . . . . 6.5 111.317 169.262 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.923 ' HA ' ' CG2' ' A' ' 25' ' ' THR . 5.6 mt -138.07 137.36 44.54 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.963 0 O-C-N 128.434 3.584 . . . . 4.3799999999999999 107.824 -110.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.66 151.53 37.04 Favored 'General case' 0 N--CA 1.387 -3.585 3 CA-C-N 104.395 -5.821 . . . . 2.2999999999999998 98.224 -178.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.056 HD23 HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -156.51 163.44 39.4 Favored 'General case' 0 C--N 1.277 -2.551 2 N-CA-C 98.44 -4.652 . . . . 3.5 98.44 -158.74 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -160.65 -174.9 31.05 Favored Glycine 0 N--CA 1.415 -2.755 0 O-C-N 128.386 3.554 . . . . 1.1699999999999999 104.49 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.722 ' HA ' ' HE2' ' A' ' 2' ' ' LYS . 1.8 m -102.58 102.3 12.52 Favored 'General case' 0 CA--C 1.47 -2.12 2 N-CA-C 100.043 -4.058 . . . . 1.71 100.043 172.942 -30.748 -163.685 106.593 105.211 2.026 92.69 -167.634 -149.649 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 1.272 ' CB ' HG12 ' A' ' 20' ' ' ILE 0.433 . . -30.92 177.96 0.0 OUTLIER 'General case' 0 N--CA 1.382 -3.854 2 CA-C-N 104.412 -5.813 . . . . 2.4500000000000002 120.974 -178.122 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.49 ' O ' ' OG1' ' A' ' 45' ' ' THR 0.254 . . -177.9 29.43 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.688 2 CA-C-N 101.583 -7.099 . . . . 2.6800000000000002 111.364 174.468 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.87 ' H ' HD11 ' A' ' 20' ' ' ILE . 0.2 OUTLIER 117.76 125.3 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 122.526 2.421 . . . . 3.1600000000000001 107.583 179.42 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 57' ' ' CYS . 0.9 OUTLIER -106.49 104.39 50.44 Favored Pre-proline 0 CA--C 1.499 -0.984 0 N-CA-C 106.805 -1.554 . . . . 1.8799999999999999 106.805 160.771 -102.052 77.66 72.3 94.106 1.988 96.916 86.073 -76.733 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.557 ' HA ' ' HD3' ' A' ' 48' ' ' LYS . 83.5 Cg_endo -85.44 -145.3 0.03 OUTLIER 'Trans proline' 0 N--CA 1.419 -2.872 0 N-CA-C 106.291 -2.234 . . . . 3.5699999999999998 106.291 172.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.669 ' HA ' ' NZ ' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -150.75 62.97 0.93 Allowed 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.1 -2.773 . . . . 4.2999999999999998 104.763 -158.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 ' N ' ' NZ ' ' A' ' 50' ' ' LYS 0.267 2.3 t -136.37 117.55 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.917 1 N-CA-C 96.081 -5.525 . . . . 2.7000000000000002 96.081 166.871 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.669 ' NZ ' ' HA ' ' A' ' 48' ' ' LYS 0.312 0.1 OUTLIER -158.78 138.87 8.83 Favored Pre-proline 0 CA--C 1.46 -2.488 0 N-CA-C 100.575 -3.861 . . . . 5.71 100.575 167.664 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.65 -97.66 0.01 OUTLIER 'Trans proline' 0 N--CA 1.416 -3.087 0 O-C-N 127.674 3.46 . . . . 2.2400000000000002 105.418 166.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -113.96 -18.56 6.8 Favored Glycine 0 C--O 1.223 -0.558 0 O-C-N 126.232 2.208 . . . . 1.6599999999999999 112.203 -159.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' HB ' ' O ' ' A' ' 25' ' ' THR . 26.9 m -74.97 145.1 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.997 0 CA-C-N 113.533 -1.334 . . . . 1.4299999999999999 109.57 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.08 120.82 28.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 O-C-N 126.607 2.442 . . . . 2.7999999999999998 109.296 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.54 HD12 ' HD3' ' A' ' 50' ' ' LYS . 2.5 mt -126.42 129.05 71.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.349 0 N-CA-C 106.753 -1.573 . . . . 1.3 106.753 178.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' THR . 0.0 OUTLIER -130.0 139.58 51.02 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 104.347 -2.464 . . . . 2.7400000000000002 104.347 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.671 ' SG ' ' HB2' ' A' ' 22' ' ' TYR . 47.1 m -135.95 154.82 50.99 Favored 'General case' 0 CA--C 1.518 -0.261 0 O-C-N 125.103 1.502 . . . . 1.3100000000000001 108.024 167.823 -76.733 86.073 72.3 96.916 1.988 94.106 77.66 -102.052 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.455 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 29.0 p -157.39 130.06 7.49 Favored 'General case' 0 N--CA 1.439 -0.998 0 N-CA-C 106.553 -1.647 . . . . 1.51 106.553 175.601 61.915 157.775 -142.937 106.447 1.993 90.946 144.987 -173.022 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.833 ' CA ' HG22 ' A' ' 20' ' ' ILE . 6.1 p -77.34 167.64 21.36 Favored 'General case' 0 CA--C 1.439 -3.313 0 N-CA-C 104.713 -2.329 . . . . 1.74 104.713 174.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.69 HG22 ' H ' ' A' ' 61' ' ' ASP . 87.9 m 124.92 -139.42 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.989 1 O-C-N 129.685 4.366 . . . . 1.78 100.848 -169.204 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 60' ' ' THR 0.264 0.9 OUTLIER -129.51 -91.84 0.46 Allowed 'General case' 0 N--CA 1.432 -1.359 1 N-CA-C 99.223 -4.362 . . . . 2.4300000000000002 99.223 -173.971 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 67.0 m-20 -84.21 -8.76 58.96 Favored 'General case' 0 CA--C 1.459 -2.523 0 CA-C-N 110.323 -3.126 . . . . 2.3900000000000001 107.452 -159.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.416 ' C ' HD22 ' A' ' 64' ' ' ASN . 44.8 t 43.58 -106.9 0.1 Allowed 'General case' 0 N--CA 1.421 -1.892 0 N-CA-C 101.962 -3.347 . . . . 2.2200000000000002 101.962 -172.123 -173.022 144.987 -142.937 90.946 1.993 106.447 157.775 61.915 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.866 ' ND2' ' HD3' ' A' ' 65' ' ' PRO 2.362 2.9 m120 -4.78 106.26 0.03 OUTLIER Pre-proline 0 N--CA 1.433 -1.31 4 N-CA-C 134.774 8.805 . . . . 4.0700000000000003 134.774 153.615 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.866 ' HD3' ' ND2' ' A' ' 64' ' ' ASN 0.258 0.5 OUTLIER -82.7 -47.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.414 -3.176 1 N-CA-C 98.891 -5.08 . . . . 4.7800000000000002 98.891 166.399 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.75 ' HB2' ' CG2' ' A' ' 68' ' ' THR 2.019 0.5 OUTLIER -59.7 72.68 0.0 OUTLIER Pre-proline 0 CA--C 1.431 -3.608 1 C-N-CA 137.258 6.223 . . . . 6.1500000000000004 103.59 -122.78 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.701 ' HG2' ' CG ' ' A' ' 73' ' ' HIS . 20.8 Cg_endo -67.55 -44.03 4.98 Favored 'Trans proline' 0 N--CA 1.432 -2.133 0 C-N-CA 113.865 -3.623 . . . . 2.9500000000000002 105.213 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.75 ' CG2' ' HB2' ' A' ' 66' ' ' PHE 0.382 0.1 OUTLIER 28.76 142.17 0.0 OUTLIER 'General case' 0 CA--C 1.453 -2.769 1 CA-C-O 132.668 5.985 . . . . 4.1399999999999997 116.609 176.975 . . . . . . . . 5 4 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TRP . . . . . 0.655 ' O ' ' HA ' ' A' ' 34' ' ' ARG 0.293 0.0 OUTLIER -131.58 -61.86 0.89 Allowed 'General case' 2 CA--C 1.369 -5.985 2 CA-C-N 98.957 -8.292 . . . . 6.2300000000000004 102.051 -135.113 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.686 ' HA ' ' HG2' ' A' ' 34' ' ' ARG 0.414 0.0 OUTLIER -150.83 -12.6 0.23 Allowed 'General case' 0 C--N 1.254 -3.577 0 CA-C-N 109.42 -3.537 . . . . 5.79 103.978 -162.851 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' HG2' HH11 ' A' ' 71' ' ' ARG 0.623 0.3 OUTLIER 171.45 1.68 0.0 OUTLIER 'General case' 1 N--CA 1.363 -4.784 2 CA-C-N 107.811 -4.268 . . . . 7.7599999999999998 117.797 -165.785 . . . . . . . . 6 4 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.594 ' HA ' ' HB2' ' A' ' 73' ' ' HIS 0.282 0.0 OUTLIER 69.11 75.07 0.25 Allowed 'General case' 0 CA--C 1.486 -1.482 0 CA-C-O 126.64 3.114 . . . . 7.6100000000000003 112.033 -139.633 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.701 ' CG ' ' HG2' ' A' ' 67' ' ' PRO 0.634 3.2 t60 . . . . . 1 C--O 3.511 120.092 3 CA-C-O 84.068 -17.158 . . . . 8.3100000000000005 108.856 88.399 . . . . . . . . 4 2 . 1 stop_ save_