data_2k0p_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 2k0p _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' ' ' MET . . . . . . . . . . . . . 9.2 mmm . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 123.097 1.427 . . . . 0.0 108.649 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.11 130.71 55.09 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 119.538 -1.976 . . . . 0.0 110.545 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -120.17 139.23 52.94 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 118.129 -1.428 . . . . 0.0 113.176 -172.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.56 128.23 38.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 124.577 1.151 . . . . 0.0 110.381 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.2 tp -103.03 121.88 43.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.3 mt -97.34 119.05 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 124.716 2.198 . . . . 0.0 106.591 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -98.85 125.45 44.24 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 111.681 -2.509 . . . . 0.0 107.732 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -129.22 87.08 2.5 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.32 176.34 20.08 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-O 124.369 2.094 . . . . 0.0 114.178 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.1 tttt 51.43 -84.66 0.01 OUTLIER 'General case' 0 C--O 1.247 0.944 0 CA-C-N 111.089 -2.555 . . . . 0.0 115.682 168.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -49.76 8.61 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.89 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -151.26 155.21 38.31 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 115.45 -2.5 . . . . 0.0 107.672 -166.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -121.29 129.23 53.01 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.88 -177.96 41.37 Favored Glycine 0 C--O 1.258 1.648 0 CA-C-N 120.951 1.705 . . . . 0.0 112.062 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -130.76 120.89 24.46 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.889 1.582 . . . . 0.0 107.813 -169.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.94 127.06 47.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -86.5 114.26 23.1 Favored 'General case' 0 N--CA 1.417 -2.116 0 O-C-N 127.393 2.933 . . . . 0.0 113.527 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 m -113.6 128.87 56.59 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 127.0 2.688 . . . . 0.0 107.546 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -74.83 86.35 2.23 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -97.69 -2.95 40.24 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 121.065 3.728 . . . . 0.0 121.065 -174.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t 66.29 -63.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 C-N-CA 127.814 2.446 . . . . 0.0 115.65 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -147.64 137.43 22.75 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 122.668 1.223 . . . . 0.0 110.713 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . 0.306 . . -7.21 -57.27 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 164.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -61.64 2.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.676 2.39 . . . . 0.0 110.248 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -55.66 -44.93 77.69 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.665 1.986 . . . . 0.0 110.832 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.67 69.56 Favored 'General case' 0 C--N 1.365 1.269 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -67.6 -42.3 82.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 120.575 1.534 . . . . 0.0 111.237 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.83 -39.04 76.7 Favored 'General case' 0 C--N 1.366 1.298 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.0 t -65.36 -40.31 88.02 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 CA-C-O 123.217 1.484 . . . . 0.0 111.54 171.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -78.02 -34.66 50.57 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -57.16 -45.98 83.15 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.412 170.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.7 -44.15 77.13 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -73.81 -42.72 60.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.459 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.82 28.59 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 112.468 -2.151 . . . . 0.0 113.039 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -65.61 -29.94 70.59 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 125.404 1.69 . . . . 0.0 114.028 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -62.98 -37.43 87.1 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.67 1.588 . . . . 0.0 110.583 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -97.13 -19.24 18.8 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.471 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.03 -31.8 3.41 Favored Glycine 0 N--CA 1.48 1.601 0 O-C-N 119.949 -1.719 . . . . 0.0 113.672 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.04 75.93 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-O 125.658 2.647 . . . . 0.0 110.517 -165.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.97 129.1 34.93 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 111.833 -2.44 . . . . 0.0 109.701 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -144.66 7.23 Favored Glycine 0 CA--C 1.492 -1.383 0 C-N-CA 118.727 -1.701 . . . . 0.0 111.102 -168.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.52 142.22 29.61 Favored 'General case' 0 C--O 1.278 2.564 0 O-C-N 125.765 1.509 . . . . 0.0 108.531 -167.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -104.22 130.83 52.0 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 116.484 -1.722 . . . . 0.0 110.177 -173.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -122.58 155.42 36.33 Favored 'General case' 0 CA--C 1.485 -1.538 0 O-C-N 124.48 1.112 . . . . 0.0 111.649 160.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -144.9 143.79 30.76 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -128.36 128.57 44.78 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.047 2.139 . . . . 0.0 110.18 165.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.75 -54.13 40.11 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 110.528 -3.033 . . . . 0.0 116.212 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.01 72.04 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 117.888 -3.007 . . . . 0.0 116.311 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -96.84 4.96 51.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 112.22 -2.263 . . . . 0.0 115.609 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 53.24 38.36 27.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.852 1.345 . . . . 0.0 114.549 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -118.87 125.75 50.23 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 124.116 1.912 . . . . 0.0 112.322 -161.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.28 130.82 56.8 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 116.655 -1.64 . . . . 0.0 107.305 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -113.86 131.22 56.34 Favored 'General case' 0 C--O 1.198 -1.629 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 169.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -99.55 110.12 26.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 C-N-CA 116.836 -1.946 . . . . 0.0 106.51 167.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -108.76 145.28 35.41 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 111.807 -2.452 . . . . 0.0 111.972 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 CA--C 1.496 -1.112 0 CA-C-O 115.373 -2.251 . . . . 0.0 112.952 173.106 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmm . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 123.097 1.427 . . . . 0.0 108.649 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.11 130.71 55.09 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 119.538 -1.976 . . . . 0.0 110.545 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' HD2' ' HB3' ' A' ' 20' ' ' ALA . 70.1 m-85 -120.17 139.23 52.94 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 118.129 -1.428 . . . . 0.0 113.176 -172.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.56 128.23 38.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 124.577 1.151 . . . . 0.0 110.381 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HG23 ' A' ' 54' ' ' VAL . 62.2 tp -103.03 121.88 43.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.793 HG12 ' HG2' ' A' ' 15' ' ' GLU . 14.3 mt -97.34 119.05 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 124.716 2.198 . . . . 0.0 106.591 161.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -98.85 125.45 44.24 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 111.681 -2.509 . . . . 0.0 107.732 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -129.22 87.08 2.5 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.32 176.34 20.08 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-O 124.369 2.094 . . . . 0.0 114.178 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 39' ' ' VAL . 86.1 tttt 51.43 -84.66 0.01 OUTLIER 'General case' 0 C--O 1.247 0.944 0 CA-C-N 111.089 -2.555 . . . . 0.0 115.682 168.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -49.76 8.61 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.89 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -151.26 155.21 38.31 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 115.45 -2.5 . . . . 0.0 107.672 -166.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -121.29 129.23 53.01 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.88 -177.96 41.37 Favored Glycine 0 C--O 1.258 1.648 0 CA-C-N 120.951 1.705 . . . . 0.0 112.062 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.793 ' HG2' HG12 ' A' ' 6' ' ' ILE . 48.4 mt-10 -130.76 120.89 24.46 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.889 1.582 . . . . 0.0 107.813 -169.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.94 127.06 47.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -86.5 114.26 23.1 Favored 'General case' 0 N--CA 1.417 -2.116 0 O-C-N 127.393 2.933 . . . . 0.0 113.527 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.566 HG21 HG11 ' A' ' 29' ' ' VAL . 74.1 m -113.6 128.87 56.59 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 127.0 2.688 . . . . 0.0 107.546 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -74.83 86.35 2.23 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' ' 3' ' ' TYR . . . -97.69 -2.95 40.24 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 121.065 3.728 . . . . 0.0 121.065 -174.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t 66.29 -63.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 C-N-CA 127.814 2.446 . . . . 0.0 115.65 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -147.64 137.43 22.75 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 122.668 1.223 . . . . 0.0 110.713 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . 0.306 . . -7.21 -57.27 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 164.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -61.64 2.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.676 2.39 . . . . 0.0 110.248 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -55.66 -44.93 77.69 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.665 1.986 . . . . 0.0 110.832 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.67 69.56 Favored 'General case' 0 C--N 1.365 1.269 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -67.6 -42.3 82.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 120.575 1.534 . . . . 0.0 111.237 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.83 -39.04 76.7 Favored 'General case' 0 C--N 1.366 1.298 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 18' ' ' THR . 57.0 t -65.36 -40.31 88.02 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 CA-C-O 123.217 1.484 . . . . 0.0 111.54 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -78.02 -34.66 50.57 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -57.16 -45.98 83.15 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.412 170.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.7 -44.15 77.13 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -73.81 -42.72 60.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.459 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.82 28.59 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 112.468 -2.151 . . . . 0.0 113.039 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -65.61 -29.94 70.59 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 125.404 1.69 . . . . 0.0 114.028 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -62.98 -37.43 87.1 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.67 1.588 . . . . 0.0 110.583 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -97.13 -19.24 18.8 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.471 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.03 -31.8 3.41 Favored Glycine 0 N--CA 1.48 1.601 0 O-C-N 119.949 -1.719 . . . . 0.0 113.672 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 10' ' ' LYS . 26.3 t -92.04 75.93 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-O 125.658 2.647 . . . . 0.0 110.517 -165.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.97 129.1 34.93 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 111.833 -2.44 . . . . 0.0 109.701 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -144.66 7.23 Favored Glycine 0 CA--C 1.492 -1.383 0 C-N-CA 118.727 -1.701 . . . . 0.0 111.102 -168.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.52 142.22 29.61 Favored 'General case' 0 C--O 1.278 2.564 0 O-C-N 125.765 1.509 . . . . 0.0 108.531 -167.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -104.22 130.83 52.0 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 116.484 -1.722 . . . . 0.0 110.177 -173.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -122.58 155.42 36.33 Favored 'General case' 0 CA--C 1.485 -1.538 0 O-C-N 124.48 1.112 . . . . 0.0 111.649 160.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -144.9 143.79 30.76 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -128.36 128.57 44.78 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.047 2.139 . . . . 0.0 110.18 165.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.75 -54.13 40.11 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 110.528 -3.033 . . . . 0.0 116.212 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.01 72.04 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 117.888 -3.007 . . . . 0.0 116.311 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -96.84 4.96 51.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 112.22 -2.263 . . . . 0.0 115.609 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 53.24 38.36 27.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.852 1.345 . . . . 0.0 114.549 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -118.87 125.75 50.23 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 124.116 1.912 . . . . 0.0 112.322 -161.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.28 130.82 56.8 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 116.655 -1.64 . . . . 0.0 107.305 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -113.86 131.22 56.34 Favored 'General case' 0 C--O 1.198 -1.629 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 169.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 5' ' ' LEU . 59.4 t -99.55 110.12 26.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 C-N-CA 116.836 -1.946 . . . . 0.0 106.51 167.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -108.76 145.28 35.41 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 111.807 -2.452 . . . . 0.0 111.972 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 CA--C 1.496 -1.112 0 CA-C-O 115.373 -2.251 . . . . 0.0 112.952 173.106 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mmm . . . . . 0 N--CA 1.446 -0.635 0 CA-C-O 123.097 1.427 . . . . 0.0 108.649 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.11 130.71 55.09 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 119.538 -1.976 . . . . 0.0 110.545 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' HD2' ' HB3' ' A' ' 20' ' ' ALA . 70.1 m-85 -120.17 139.23 52.94 Favored 'General case' 0 CA--C 1.495 -1.162 0 C-N-CA 118.129 -1.428 . . . . 0.0 113.176 -172.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -92.56 128.23 38.34 Favored 'General case' 0 C--O 1.252 1.185 0 C-N-CA 124.577 1.151 . . . . 0.0 110.381 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD11 HG23 ' A' ' 54' ' ' VAL . 62.2 tp -103.03 121.88 43.47 Favored 'General case' 0 C--N 1.295 -1.776 0 N-CA-C 105.17 -2.159 . . . . 0.0 105.17 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.793 HG12 ' HG2' ' A' ' 15' ' ' GLU . 14.3 mt -97.34 119.05 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-O 124.716 2.198 . . . . 0.0 106.591 161.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.2 tp -98.85 125.45 44.24 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 111.681 -2.509 . . . . 0.0 107.732 170.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -129.22 87.08 2.5 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -173.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 146.32 176.34 20.08 Favored Glycine 0 C--N 1.356 1.668 0 CA-C-O 124.369 2.094 . . . . 0.0 114.178 169.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 39' ' ' VAL . 86.1 tttt 51.43 -84.66 0.01 OUTLIER 'General case' 0 C--O 1.247 0.944 0 CA-C-N 111.089 -2.555 . . . . 0.0 115.682 168.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.05 -49.76 8.61 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.89 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.5 mt -151.26 155.21 38.31 Favored 'General case' 0 C--N 1.374 1.65 0 C-N-CA 115.45 -2.5 . . . . 0.0 107.672 -166.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -121.29 129.23 53.01 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 170.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 166.88 -177.96 41.37 Favored Glycine 0 C--O 1.258 1.648 0 CA-C-N 120.951 1.705 . . . . 0.0 112.062 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.793 ' HG2' HG12 ' A' ' 6' ' ' ILE . 48.4 mt-10 -130.76 120.89 24.46 Favored 'General case' 0 C--O 1.254 1.335 0 O-C-N 125.889 1.582 . . . . 0.0 107.813 -169.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.94 127.06 47.41 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 16.4 m -86.5 114.26 23.1 Favored 'General case' 0 N--CA 1.417 -2.116 0 O-C-N 127.393 2.933 . . . . 0.0 113.527 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.566 HG21 HG11 ' A' ' 29' ' ' VAL . 74.1 m -113.6 128.87 56.59 Favored 'General case' 0 CA--C 1.567 1.612 0 O-C-N 127.0 2.688 . . . . 0.0 107.546 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -74.83 86.35 2.23 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 103.376 -2.824 . . . . 0.0 103.376 174.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HB3' ' HD2' ' A' ' 3' ' ' TYR . . . -97.69 -2.95 40.24 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 121.065 3.728 . . . . 0.0 121.065 -174.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 67.9 t 66.29 -63.26 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 C-N-CA 127.814 2.446 . . . . 0.0 115.65 173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -147.64 137.43 22.75 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 122.668 1.223 . . . . 0.0 110.713 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . 0.306 . . -7.21 -57.27 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 164.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.43 -61.64 2.43 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 127.676 2.39 . . . . 0.0 110.248 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 m -55.66 -44.93 77.69 Favored 'General case' 0 C--N 1.306 -1.316 0 C-N-CA 126.665 1.986 . . . . 0.0 110.832 -176.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.78 -29.67 69.56 Favored 'General case' 0 C--N 1.365 1.269 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -67.6 -42.3 82.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 120.575 1.534 . . . . 0.0 111.237 171.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -69.83 -39.04 76.7 Favored 'General case' 0 C--N 1.366 1.298 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 HG21 ' A' ' 18' ' ' THR . 57.0 t -65.36 -40.31 88.02 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 CA-C-O 123.217 1.484 . . . . 0.0 111.54 171.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -78.02 -34.66 50.57 Favored 'General case' 0 C--O 1.26 1.623 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 -174.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -57.16 -45.98 83.15 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 117.914 -1.041 . . . . 0.0 111.412 170.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -55.7 -44.15 77.13 Favored 'General case' 0 C--O 1.263 1.785 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 172.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -73.81 -42.72 60.55 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 119.792 -0.763 . . . . 0.0 109.459 -172.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.27 -55.82 28.59 Favored 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 112.468 -2.151 . . . . 0.0 113.039 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -65.61 -29.94 70.59 Favored 'General case' 0 N--CA 1.448 -0.563 0 O-C-N 125.404 1.69 . . . . 0.0 114.028 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -62.98 -37.43 87.1 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 125.67 1.588 . . . . 0.0 110.583 175.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -97.13 -19.24 18.8 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.471 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 129.03 -31.8 3.41 Favored Glycine 0 N--CA 1.48 1.601 0 O-C-N 119.949 -1.719 . . . . 0.0 113.672 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 10' ' ' LYS . 26.3 t -92.04 75.93 1.1 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.823 0 CA-C-O 125.658 2.647 . . . . 0.0 110.517 -165.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -83.97 129.1 34.93 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 111.833 -2.44 . . . . 0.0 109.701 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.87 -144.66 7.23 Favored Glycine 0 CA--C 1.492 -1.383 0 C-N-CA 118.727 -1.701 . . . . 0.0 111.102 -168.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -97.52 142.22 29.61 Favored 'General case' 0 C--O 1.278 2.564 0 O-C-N 125.765 1.509 . . . . 0.0 108.531 -167.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -104.22 130.83 52.0 Favored 'General case' 0 C--N 1.363 1.19 0 CA-C-O 116.484 -1.722 . . . . 0.0 110.177 -173.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 p -122.58 155.42 36.33 Favored 'General case' 0 CA--C 1.485 -1.538 0 O-C-N 124.48 1.112 . . . . 0.0 111.649 160.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -144.9 143.79 30.76 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 107.189 -1.412 . . . . 0.0 107.189 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -128.36 128.57 44.78 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 127.047 2.139 . . . . 0.0 110.18 165.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.75 -54.13 40.11 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 110.528 -3.033 . . . . 0.0 116.212 -178.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.1 -31.01 72.04 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 117.888 -3.007 . . . . 0.0 116.311 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.3 p -96.84 4.96 51.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 112.22 -2.263 . . . . 0.0 115.609 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.9 mttt 53.24 38.36 27.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 124.852 1.345 . . . . 0.0 114.549 -174.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.5 m -118.87 125.75 50.23 Favored 'General case' 0 CA--C 1.551 0.988 0 CA-C-O 124.116 1.912 . . . . 0.0 112.322 -161.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.28 130.82 56.8 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 116.655 -1.64 . . . . 0.0 107.305 175.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.4 m -113.86 131.22 56.34 Favored 'General case' 0 C--O 1.198 -1.629 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 169.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.632 HG23 HD11 ' A' ' 5' ' ' LEU . 59.4 t -99.55 110.12 26.06 Favored 'Isoleucine or valine' 0 C--N 1.361 1.089 0 C-N-CA 116.836 -1.946 . . . . 0.0 106.51 167.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 15.8 m -108.76 145.28 35.41 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-N 111.807 -2.452 . . . . 0.0 111.972 -170.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 CA--C 1.496 -1.112 0 CA-C-O 115.373 -2.251 . . . . 0.0 112.952 173.106 . . . . . . . . 0 0 . 1 stop_ save_