data_1rwd_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 1rwd _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . . . -113.14 125.68 54.61 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 123.127 1.442 . . . . 0.0 110.243 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . . . -103.59 129.46 50.86 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 112.851 -1.977 . . . . 0.0 108.451 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . . . -98.95 140.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-N 114.004 -1.453 . . . . 0.0 107.602 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.405 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -78.19 118.1 20.1 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 121.798 0.808 . . . . 0.0 109.192 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -75.03 -7.87 54.92 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . . . -98.2 -66.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.646 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . . . -95.76 -4.49 43.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.995 -1.065 . . . . 0.0 109.638 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 96.03 -32.96 5.9 Favored Glycine 0 N--CA 1.494 2.534 0 C-N-CA 117.997 -2.049 . . . . 0.0 112.47 168.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . . . -25.69 144.14 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 118.716 1.258 . . . . 0.0 113.846 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -95.71 117.53 39.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 13' ' ' ASP . . . -75.8 34.07 0.12 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.383 -169.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' TYR . . . -35.01 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.945 0.879 . . . . 0.0 111.096 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' TYR . . . -76.58 -21.81 55.1 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.351 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . . . -80.3 -37.26 33.06 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.014 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 -37.01 62.36 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . 79.05 -160.97 46.96 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -158.04 71.82 4.07 Favored Pre-proline 0 C--N 1.287 -2.131 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -54.7 -46.26 34.73 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 121.187 1.258 . . . . 0.0 111.096 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . . . -32.71 -41.34 0.06 Allowed 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.684 -0.635 . . . . 0.0 111.636 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . . . -116.41 42.25 2.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.285 -1.509 . . . . 0.0 109.292 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 61.98 32.96 84.0 Favored Glycine 0 N--CA 1.492 2.397 0 CA-C-N 114.586 -1.188 . . . . 0.0 112.023 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -111.71 116.93 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 118.681 1.241 . . . . 0.0 108.536 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -90.55 176.57 2.86 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 120.89 -1.131 . . . . 0.0 113.007 -161.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 27' ' ' THR . . . -74.96 166.12 29.9 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 121.754 1.636 . . . . 0.0 108.343 169.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.08 -18.28 0.1 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.53 ' H ' ' C ' ' A' ' 25' ' ' PRO . . . -74.37 136.48 42.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 0.0 109.948 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -84.99 163.49 18.86 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.275 -177.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' C ' ' H ' ' A' ' 31' ' ' GLU . . . -67.34 -51.89 46.87 Favored 'General case' 1 C--N 1.197 -6.028 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.798 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -68.59 12.3 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 29' ' ' PHE . . . -123.97 -16.73 6.48 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 124.363 1.065 . . . . 0.0 110.368 175.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -64.01 125.07 87.19 Favored Pre-proline 0 C--N 1.284 -2.249 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . . . -61.48 165.48 13.2 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 120.696 0.931 . . . . 0.0 111.181 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -69.49 -22.09 63.64 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.415 -171.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -110.36 19.89 18.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.18 -0.95 . . . . 0.0 109.889 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . . . -81.04 158.69 25.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -158.48 162.1 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-O 122.921 1.343 . . . . 0.0 111.72 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . . . -60.36 134.61 91.16 Favored Pre-proline 0 N--CA 1.493 1.685 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.439 -174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . . . -63.25 -25.93 72.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.234 1.289 . . . . 0.0 109.951 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . . . -89.7 -74.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.9 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -97.81 -14.28 20.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.764 -0.585 . . . . 0.0 111.454 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 63.28 17.03 58.86 Favored Glycine 0 N--CA 1.495 2.579 0 O-C-N 121.109 -0.994 . . . . 0.0 111.441 175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.43 149.83 47.37 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.147 -1.208 . . . . 0.0 110.464 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . . . -54.16 127.42 25.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.406 1.404 . . . . 0.0 112.289 -168.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -42.19 -54.32 3.7 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.818 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.526 ' C ' ' H ' ' A' ' 48' ' ' PHE . . . -46.71 -22.33 0.28 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.65 -0.656 . . . . 0.0 111.548 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . . . -70.14 38.36 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.871 -1.143 . . . . 0.0 109.996 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.526 ' H ' ' C ' ' A' ' 46' ' ' SER . . . -124.57 139.64 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 109.185 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -146.66 147.38 30.96 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.063 0.935 . . . . 0.0 110.084 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.418 179.558 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . . . -113.14 125.68 54.61 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 123.127 1.442 . . . . 0.0 110.243 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . . . -103.59 129.46 50.86 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 112.851 -1.977 . . . . 0.0 108.451 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . . . -98.95 140.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-N 114.004 -1.453 . . . . 0.0 107.602 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -78.19 118.1 20.1 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 121.798 0.808 . . . . 0.0 109.192 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -75.03 -7.87 54.92 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . . . -98.2 -66.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.646 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . . . -95.76 -4.49 43.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.995 -1.065 . . . . 0.0 109.638 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 96.03 -32.96 5.9 Favored Glycine 0 N--CA 1.494 2.534 0 C-N-CA 117.997 -2.049 . . . . 0.0 112.47 168.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . . . -25.69 144.14 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 118.716 1.258 . . . . 0.0 113.846 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -95.71 117.53 39.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 13' ' ' ASP . . . -75.8 34.07 0.12 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.383 -169.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' TYR . . . -35.01 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.945 0.879 . . . . 0.0 111.096 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' TYR . . . -76.58 -21.81 55.1 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.351 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . . . -80.3 -37.26 33.06 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.014 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 -37.01 62.36 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . 79.05 -160.97 46.96 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -158.04 71.82 4.07 Favored Pre-proline 0 C--N 1.287 -2.131 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -54.7 -46.26 34.73 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 121.187 1.258 . . . . 0.0 111.096 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . . . -32.71 -41.34 0.06 Allowed 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.684 -0.635 . . . . 0.0 111.636 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . . . -116.41 42.25 2.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.285 -1.509 . . . . 0.0 109.292 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 61.98 32.96 84.0 Favored Glycine 0 N--CA 1.492 2.397 0 CA-C-N 114.586 -1.188 . . . . 0.0 112.023 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -111.71 116.93 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 118.681 1.241 . . . . 0.0 108.536 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -90.55 176.57 2.86 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 120.89 -1.131 . . . . 0.0 113.007 -161.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 27' ' ' THR . . . -74.96 166.12 29.9 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 121.754 1.636 . . . . 0.0 108.343 169.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.08 -18.28 0.1 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 25' ' ' PRO . . . -74.37 136.48 42.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 0.0 109.948 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -84.99 163.49 18.86 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.275 -177.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' A' ' 31' ' ' GLU . . . -67.34 -51.89 46.87 Favored 'General case' 1 C--N 1.197 -6.028 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.798 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -68.59 12.3 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 29' ' ' PHE . . . -123.97 -16.73 6.48 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 124.363 1.065 . . . . 0.0 110.368 175.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -64.01 125.07 87.19 Favored Pre-proline 0 C--N 1.284 -2.249 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . . . -61.48 165.48 13.2 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 120.696 0.931 . . . . 0.0 111.181 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -69.49 -22.09 63.64 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.415 -171.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -110.36 19.89 18.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.18 -0.95 . . . . 0.0 109.889 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . . . -81.04 158.69 25.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -158.48 162.1 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-O 122.921 1.343 . . . . 0.0 111.72 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' CB ' ' H ' ' A' ' 42' ' ' GLY . . . -60.36 134.61 91.16 Favored Pre-proline 0 N--CA 1.493 1.685 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.439 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . . . -63.25 -25.93 72.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.234 1.289 . . . . 0.0 109.951 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . . . -89.7 -74.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.9 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -97.81 -14.28 20.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.764 -0.585 . . . . 0.0 111.454 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' H ' ' CB ' ' A' ' 38' ' ' CYS . . . 63.28 17.03 58.86 Favored Glycine 0 N--CA 1.495 2.579 0 O-C-N 121.109 -0.994 . . . . 0.0 111.441 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.43 149.83 47.37 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.147 -1.208 . . . . 0.0 110.464 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . . . -54.16 127.42 25.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.406 1.404 . . . . 0.0 112.289 -168.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -42.19 -54.32 3.7 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.818 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 48' ' ' PHE . . . -46.71 -22.33 0.28 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.65 -0.656 . . . . 0.0 111.548 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . . . -70.14 38.36 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.871 -1.143 . . . . 0.0 109.996 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 46' ' ' SER . . . -124.57 139.64 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 109.185 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -146.66 147.38 30.96 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.063 0.935 . . . . 0.0 110.084 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.418 179.558 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . . . -113.14 125.68 54.61 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 123.127 1.442 . . . . 0.0 110.243 175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . . . -103.59 129.46 50.86 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 112.851 -1.977 . . . . 0.0 108.451 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . . . -98.95 140.03 19.41 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.749 0 CA-C-N 114.004 -1.453 . . . . 0.0 107.602 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 9' ' ' GLY . . . -78.19 118.1 20.1 Favored 'General case' 0 C--N 1.268 -2.936 0 CA-C-O 121.798 0.808 . . . . 0.0 109.192 177.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . . . -75.03 -7.87 54.92 Favored 'General case' 0 C--N 1.283 -2.312 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.598 -173.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . . . -98.2 -66.33 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.294 -1.816 0 C-N-CA 118.804 -1.159 . . . . 0.0 110.646 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . . . -95.76 -4.49 43.91 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.995 -1.065 . . . . 0.0 109.638 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 96.03 -32.96 5.9 Favored Glycine 0 N--CA 1.494 2.534 0 C-N-CA 117.997 -2.049 . . . . 0.0 112.47 168.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . . . -25.69 144.14 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.951 0 CA-C-N 118.716 1.258 . . . . 0.0 113.846 -178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . . . -95.71 117.53 39.97 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.437 ' O ' ' C ' ' A' ' 13' ' ' ASP . . . -75.8 34.07 0.12 Allowed 'General case' 0 N--CA 1.5 2.05 0 C-N-CA 118.443 -1.303 . . . . 0.0 113.383 -169.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 12' ' ' TYR . . . -35.01 97.93 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 CA-C-O 121.945 0.879 . . . . 0.0 111.096 -175.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' TYR . . . -76.58 -21.81 55.1 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.351 -178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . . . -80.3 -37.26 33.06 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.014 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 -37.01 62.36 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 169.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 13' ' ' ASP . . . 79.05 -160.97 46.96 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . . . -158.04 71.82 4.07 Favored Pre-proline 0 C--N 1.287 -2.131 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' GLY . . . -54.7 -46.26 34.73 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 121.187 1.258 . . . . 0.0 111.096 -173.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . . . -32.71 -41.34 0.06 Allowed 'General case' 0 N--CA 1.507 2.392 0 O-C-N 121.684 -0.635 . . . . 0.0 111.636 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . . . -116.41 42.25 2.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.285 -1.509 . . . . 0.0 109.292 175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' PRO . . . 61.98 32.96 84.0 Favored Glycine 0 N--CA 1.492 2.397 0 CA-C-N 114.586 -1.188 . . . . 0.0 112.023 171.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . . . -111.71 116.93 53.87 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 CA-C-N 118.681 1.241 . . . . 0.0 108.536 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . . . -90.55 176.57 2.86 Favored Pre-proline 0 C--N 1.305 -1.329 0 O-C-N 120.89 -1.131 . . . . 0.0 113.007 -161.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 27' ' ' THR . . . -74.96 166.12 29.9 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 121.754 1.636 . . . . 0.0 108.343 169.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.08 -18.28 0.1 Allowed Glycine 0 N--CA 1.494 2.551 0 N-CA-C 111.412 -0.675 . . . . 0.0 111.412 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.511 ' H ' ' C ' ' A' ' 25' ' ' PRO . . . -74.37 136.48 42.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.251 -1.146 . . . . 0.0 109.948 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -84.99 163.49 18.86 Favored 'General case' 0 C--N 1.292 -1.923 0 C-N-CA 119.874 -0.731 . . . . 0.0 111.275 -177.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.504 ' C ' ' H ' ' A' ' 31' ' ' GLU . . . -67.34 -51.89 46.87 Favored 'General case' 1 C--N 1.197 -6.028 0 C-N-CA 119.476 -0.889 . . . . 0.0 108.798 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . . . -68.59 12.3 0.14 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.775 -1.203 . . . . 0.0 110.541 174.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' A' ' 29' ' ' PHE . . . -123.97 -16.73 6.48 Favored 'General case' 0 C--N 1.27 -2.879 0 C-N-CA 124.363 1.065 . . . . 0.0 110.368 175.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . . . -64.01 125.07 87.19 Favored Pre-proline 0 C--N 1.284 -2.249 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . . . -61.48 165.48 13.2 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 120.696 0.931 . . . . 0.0 111.181 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -69.49 -22.09 63.64 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 119.138 -1.025 . . . . 0.0 111.415 -171.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . . . -110.36 19.89 18.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.18 -0.95 . . . . 0.0 109.889 -178.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . . . -81.04 158.69 25.02 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . . . -158.48 162.1 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.4 0 CA-C-O 122.921 1.343 . . . . 0.0 111.72 -177.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' CB ' ' H ' ' A' ' 42' ' ' GLY . . . -60.36 134.61 91.16 Favored Pre-proline 0 N--CA 1.493 1.685 0 CA-C-N 113.421 -1.718 . . . . 0.0 110.439 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . . . -63.25 -25.93 72.02 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 121.234 1.289 . . . . 0.0 109.951 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . . . -89.7 -74.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.285 -2.201 0 C-N-CA 119.207 -0.997 . . . . 0.0 110.9 -178.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . . . -97.81 -14.28 20.86 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.764 -0.585 . . . . 0.0 111.454 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.421 ' H ' ' CB ' ' A' ' 38' ' ' CYS . . . 63.28 17.03 58.86 Favored Glycine 0 N--CA 1.495 2.579 0 O-C-N 121.109 -0.994 . . . . 0.0 111.441 175.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.43 149.83 47.37 Favored Pre-proline 0 N--CA 1.491 1.613 0 O-C-N 121.147 -1.208 . . . . 0.0 110.464 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . . . -54.16 127.42 25.7 Favored 'Trans proline' 0 C--N 1.309 -1.506 0 C-N-CA 121.406 1.404 . . . . 0.0 112.289 -168.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . . . -42.19 -54.32 3.7 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.818 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' C ' ' H ' ' A' ' 48' ' ' PHE . . . -46.71 -22.33 0.28 Allowed 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.65 -0.656 . . . . 0.0 111.548 -178.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . . . -70.14 38.36 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.871 -1.143 . . . . 0.0 109.996 169.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.447 ' H ' ' C ' ' A' ' 46' ' ' SER . . . -124.57 139.64 53.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 109.185 -178.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -146.66 147.38 30.96 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.063 0.935 . . . . 0.0 110.084 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.7 0 CA-C-O 118.321 -0.847 . . . . 0.0 109.418 179.558 . . . . . . . . 0 0 . 1 stop_ save_