data_1qld_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 1qld _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 ' 20' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.503 -0.555 . . . . 7.3300000000000001 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.92 58.85 0.18 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.57 -1.412 . . . . 2.75 109.57 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.37 156.04 16.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -1.108 . . . . 3.3399999999999999 109.403 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.751 ' HB3' HG12 ' A' ' 65' ' ' ILE . 62.8 mt-30 -119.35 155.14 32.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.246 -0.909 . . . . 1.55 109.673 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.712 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 2.4 mt-30 -123.42 172.91 8.34 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.47 -1.292 . . . . 1.8999999999999999 111.973 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' O ' ' N ' ' A' ' 27' ' ' TRP . 6.8 m -115.07 82.49 1.75 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.785 -0.643 . . . . 0.56999999999999995 111.769 -176.755 -43.145 -39.414 -103.897 102.112 2.01 103.235 74.112 177.137 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.607 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 6.1 t-20 -59.1 88.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 103.562 -2.755 . . . . 1.6499999999999999 103.562 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.687 ' HZ3' ' O ' ' A' ' 55' ' ' THR . 1.1 t-105 -78.48 100.72 6.99 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.827 -0.749 . . . . 0.51000000000000001 110.479 -175.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.71 ' HA ' ' CE1' ' A' ' 63' ' ' PHE . 7.5 m-85 31.81 28.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.875 -0.73 . . . . 2.5099999999999998 110.875 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . 128.49 -46.68 1.06 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.12 -1.192 . . . . 0.88 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' HD23 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -73.07 -179.08 3.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -1.175 . . . . 1.3200000000000001 109.749 -179.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.532 HD13 ' CG1' ' A' ' 66' ' ' VAL . 2.7 mm? -133.62 128.61 35.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.298 -0.876 . . . . 2.0600000000000001 109.755 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.463 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 44.7 m-85 -134.28 149.23 70.71 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 2.0699999999999998 108.863 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HD2' ' O ' ' A' ' 49' ' ' SER . 33.0 Cg_endo -75.51 139.21 22.75 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.106 1.87 . . . . 0.37 108.25 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.91 HD13 ' N ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -79.8 131.75 35.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.612 -1.305 . . . . 1.0900000000000001 112.236 -178.309 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.91 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -94.19 82.77 4.16 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.591 -1.186 . . . . 0.64000000000000001 108.128 177.847 -130.091 105.487 -38.507 104.323 2.02 104.452 130.621 40.264 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.564 ' O ' ' CG2' ' A' ' 39' ' ' THR . 14.5 t -59.61 -40.7 82.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.406 -0.809 . . . . 1.1100000000000001 109.939 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -37.67 85.33 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.236 -1.394 . . . . 1.6899999999999999 107.236 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.718 ' O ' HG21 ' A' ' 38' ' ' THR . 6.3 m -92.49 21.54 5.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.446 -1.316 . . . . 1.3300000000000001 107.446 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.645 ' HA ' ' CB ' ' A' ' 52' ' ' ALA . 6.6 t -58.28 -9.39 1.49 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.153 -1.425 . . . . 1.0900000000000001 107.153 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 38' ' ' THR . 4.3 t-20 -87.12 36.52 0.73 Allowed 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.977 -1.01 . . . . 2.0099999999999998 108.674 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . 126.86 -160.94 21.19 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.93 -1.668 . . . . 0.32000000000000001 108.93 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.545 ' CE2' HG12 ' A' ' 51' ' ' ILE . 7.0 m95 -79.93 145.48 32.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.978 -1.307 . . . . 0.40999999999999998 109.5 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.51 ' HA2' ' CG2' ' A' ' 38' ' ' THR . . . -141.65 -177.13 16.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.648 -1.381 . . . . 0.45000000000000001 109.648 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 1.285 ' CH2' ' HA ' ' A' ' 48' ' ' ARG . 64.7 t-105 -137.53 116.48 12.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -1.101 . . . . 0.5 109.361 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 7.6 tt0 -150.68 170.98 17.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 2.2599999999999998 109.478 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.3 m-20 65.49 31.09 10.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.6200000000000001 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.419 ' C ' ' HG3' ' A' ' 48' ' ' ARG . 3.1 tt0 60.1 18.28 7.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.461 -0.774 . . . . 2.9300000000000002 109.314 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 1.285 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 16.4 mtp180 -146.73 -166.38 2.48 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.74 . . . . 3.6299999999999999 109.075 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.616 ' OG ' ' HZ3' ' A' ' 44' ' ' TRP . 0.7 OUTLIER -95.52 128.04 42.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 1.1599999999999999 109.546 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 1.7 p -112.09 135.36 52.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.35999999999999999 109.288 179.723 40.264 130.621 -38.507 104.452 2.02 104.323 105.487 -130.091 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.558 ' CG2' ' HA ' ' A' ' 56' ' ' CYS . 6.3 mt -96.37 135.4 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 1.04 109.585 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.829 ' O ' ' HB2' ' A' ' 56' ' ' CYS . . . -40.87 172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.571 0.7 . . . . 1.05 111.654 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.769 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -57.48 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.64 -0.663 . . . . 3.3300000000000001 110.924 -178.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.679 ' CB ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -58.62 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.837 -1.165 . . . . 1.73 109.471 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.687 ' O ' ' HZ3' ' A' ' 27' ' ' TRP . 35.2 m -48.15 -29.95 4.15 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.922 -1.51 . . . . 1.0700000000000001 106.922 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . 0.829 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 42.0 t -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.193 0.996 . . . . 0.91000000000000003 108.978 179.015 177.137 74.112 -103.897 103.235 2.01 102.112 -39.414 -43.145 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.912 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.8 -54.38 3.64 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.618 -0.719 . . . . 1.22 112.165 -177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.679 ' CB ' ' CB ' ' A' ' 54' ' ' SER . . . -29.19 -35.03 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.104 -0.997 . . . . 1.4399999999999999 110.827 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.645 ' NE2' ' CZ3' ' A' ' 27' ' ' TRP . 10.5 mt-30 -43.01 161.91 0.18 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.034 -1.041 . . . . 1.76 109.191 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 32.2 Cg_endo -73.58 173.81 13.26 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.369 2.046 . . . . 1.2 111.041 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HA ' ' N ' ' A' ' 63' ' ' PHE . . . -79.83 156.38 75.01 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.203 -0.935 . . . . 1.6799999999999999 109.687 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.551 ' HD2' ' CE1' ' A' ' 63' ' ' PHE . 35.6 Cg_endo -78.23 13.94 13.64 Favored 'Cis proline' 0 C--N 1.308 -1.574 0 C-N-CA 123.077 -1.635 . . . . 1.4199999999999999 110.596 0.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.71 ' CE1' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -71.29 164.69 25.22 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.359 -0.978 . . . . 2.2999999999999998 108.359 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.77 ' HA3' ' O ' ' A' ' 57' ' ' ALA . . . 142.41 -166.65 26.39 Favored Glycine 0 N--CA 1.504 3.189 0 C-N-CA 117.232 -2.413 . . . . 0.70999999999999996 113.159 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.912 HG13 ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -74.81 125.58 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.58 -0.953 . . . . 1.8600000000000001 110.192 -179.34 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' A' ' 24' ' ' GLN . 1.0 OUTLIER -109.85 178.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.069 -1.086 . . . . 1.28 108.069 178.043 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 121.88 61.65 0.22 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.6 -1.4 . . . . 1.9299999999999999 109.6 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.54 86.39 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -1.084 . . . . 4.54 109.468 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.01 -1.439 . . . . 6.2000000000000002 109.551 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.503 -0.555 . . . . 7.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.92 58.85 0.18 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.57 -1.412 . . . . 2.22 109.57 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.37 156.04 16.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -1.108 . . . . 2.57 109.403 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.789 ' HB3' HG12 ' A' ' 65' ' ' ILE . 62.8 mt-30 -119.35 155.14 32.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.246 -0.909 . . . . 1.55 109.673 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.723 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 2.4 mt-30 -123.42 172.91 8.34 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.47 -1.292 . . . . 1.74 111.973 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' O ' ' N ' ' A' ' 27' ' ' TRP . 6.8 m -115.07 82.49 1.75 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.785 -0.643 . . . . 0.57 111.769 -176.755 -43.145 -39.414 -103.897 102.112 2.01 103.235 74.112 177.137 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 6.1 t-20 -59.1 88.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 103.562 -2.755 . . . . 1.34 103.562 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HZ3' ' O ' ' A' ' 55' ' ' THR . 1.1 t-105 -78.48 100.72 6.99 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.827 -0.749 . . . . 0.45 110.479 -175.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.725 ' HA ' ' CE1' ' A' ' 63' ' ' PHE . 7.5 m-85 31.81 28.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.875 -0.73 . . . . 1.57 110.875 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . 128.49 -46.68 1.06 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.12 -1.192 . . . . 0.88 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.946 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -73.07 -179.08 3.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -1.175 . . . . 0.95 109.749 -179.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 30' ' ' THR . 2.7 mm? -133.62 128.61 35.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.298 -0.876 . . . . 1.44 109.755 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 44.7 m-85 -134.28 149.23 70.71 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 1.2 108.863 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 33.0 Cg_endo -75.51 139.21 22.75 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.106 1.87 . . . . 0.33 108.25 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.023 HD12 ' N ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -79.8 131.75 35.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.612 -1.305 . . . . 0.3 112.236 -178.309 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 1.023 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -94.19 82.77 4.16 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.591 -1.186 . . . . 0.64 108.128 177.847 -130.091 105.487 -38.507 104.323 2.02 104.452 130.621 40.264 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 ' CD ' ' A' ' 53' ' ' ARG . 14.5 t -59.61 -40.7 82.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.406 -0.809 . . . . 0.36 109.939 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -37.67 85.33 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.236 -1.394 . . . . 1.08 107.236 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.993 HG21 ' CA ' ' A' ' 43' ' ' GLY . 6.3 m -92.49 21.54 5.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.446 -1.316 . . . . 0.64 107.446 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.678 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 6.6 t -58.28 -9.39 1.49 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.153 -1.425 . . . . 0.32 107.153 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' THR . 4.3 t-20 -87.12 36.52 0.73 Allowed 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.977 -1.01 . . . . 1.26 108.674 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.993 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . 126.86 -160.94 21.19 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.93 -1.668 . . . . 0.29 108.93 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.705 ' C ' HG21 ' A' ' 38' ' ' THR . 7.0 m95 -79.93 145.48 32.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.978 -1.307 . . . . 0.37 109.5 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.993 ' CA ' HG21 ' A' ' 38' ' ' THR . . . -141.65 -177.13 16.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.648 -1.381 . . . . 0.34 109.648 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 1.282 ' CH2' ' HA ' ' A' ' 48' ' ' ARG . 64.7 t-105 -137.53 116.48 12.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -1.101 . . . . 0.43 109.361 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 7.6 tt0 -150.68 170.98 17.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 2.26 109.478 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.3 m-20 65.49 31.09 10.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.62 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.432 ' C ' ' HG3' ' A' ' 48' ' ' ARG . 3.1 tt0 60.1 18.28 7.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.461 -0.774 . . . . 2.3 109.314 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 1.282 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 16.4 mtp180 -146.73 -166.38 2.48 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.74 . . . . 3.03 109.075 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.869 ' HG ' ' HZ3' ' A' ' 44' ' ' TRP . 0.7 OUTLIER -95.52 128.04 42.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.61 109.546 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 1.7 p -112.09 135.36 52.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.36 109.288 179.723 40.264 130.621 -38.507 104.452 2.02 104.323 105.487 -130.091 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.619 HD11 ' CH2' ' A' ' 42' ' ' TRP . 6.3 mt -96.37 135.4 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.18 109.585 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.993 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -40.87 172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.571 0.7 . . . . 0.2 111.654 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -57.48 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.64 -0.663 . . . . 2.86 110.924 -178.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.679 ' CB ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -58.62 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.837 -1.165 . . . . 1.27 109.471 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.699 ' O ' ' HZ3' ' A' ' 27' ' ' TRP . 35.2 m -48.15 -29.95 4.15 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.922 -1.51 . . . . 0.3 106.922 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . 0.854 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 42.0 t -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.193 0.996 . . . . 0.91 108.978 179.015 177.137 74.112 -103.897 103.235 2.01 102.112 -39.414 -43.145 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.921 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.8 -54.38 3.64 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.618 -0.719 . . . . 0.75 112.165 -177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.679 ' CB ' ' CB ' ' A' ' 54' ' ' SER . . . -29.19 -35.03 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.104 -0.997 . . . . 0.81 110.827 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.645 ' NE2' ' CZ3' ' A' ' 27' ' ' TRP . 10.5 mt-30 -43.01 161.91 0.18 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.034 -1.041 . . . . 1.76 109.191 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 32.2 Cg_endo -73.58 173.81 13.26 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.369 2.046 . . . . 1.02 111.041 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 62' ' ' PRO . . . -79.83 156.38 75.01 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.203 -0.935 . . . . 1.22 109.687 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' HD2' ' CE1' ' A' ' 63' ' ' PHE . 35.6 Cg_endo -78.23 13.94 13.64 Favored 'Cis proline' 0 C--N 1.308 -1.574 0 C-N-CA 123.077 -1.635 . . . . 1.21 110.596 0.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.725 ' CE1' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -71.29 164.69 25.22 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.359 -0.978 . . . . 1.47 108.359 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.786 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 142.41 -166.65 26.39 Favored Glycine 0 N--CA 1.504 3.189 0 C-N-CA 117.232 -2.413 . . . . 0.63 113.159 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.921 HG13 ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -74.81 125.58 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.58 -0.953 . . . . 1.3 110.192 -179.34 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.793 HG21 ' CD1' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -109.85 178.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.069 -1.086 . . . . 0.69 108.069 178.043 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 121.88 61.65 0.22 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.6 -1.4 . . . . 1.93 109.6 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.54 86.39 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -1.084 . . . . 4.2 109.468 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.01 -1.439 . . . . 6.2 109.551 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.1 mmt . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.503 -0.555 . . . . 7.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -170.92 58.85 0.18 Allowed Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.57 -1.412 . . . . 2.22 109.57 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -96.37 156.04 16.51 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.317 -1.108 . . . . 2.57 109.403 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.789 ' HB3' HG12 ' A' ' 65' ' ' ILE . 62.8 mt-30 -119.35 155.14 32.44 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.246 -0.909 . . . . 1.55 109.673 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.723 ' O ' ' HA ' ' A' ' 65' ' ' ILE . 2.4 mt-30 -123.42 172.91 8.34 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.47 -1.292 . . . . 1.74 111.973 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.68 ' O ' ' N ' ' A' ' 27' ' ' TRP . 6.8 m -115.07 82.49 1.75 Allowed 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.785 -0.643 . . . . 0.57 111.769 -176.755 -43.145 -39.414 -103.897 102.112 2.01 103.235 74.112 177.137 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' A' ' 63' ' ' PHE . 6.1 t-20 -59.1 88.06 0.01 OUTLIER 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 103.562 -2.755 . . . . 1.34 103.562 175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.699 ' HZ3' ' O ' ' A' ' 55' ' ' THR . 1.1 t-105 -78.48 100.72 6.99 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 119.827 -0.749 . . . . 0.45 110.479 -175.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.725 ' HA ' ' CE1' ' A' ' 63' ' ' PHE . 7.5 m-85 31.81 28.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.875 -0.73 . . . . 1.57 110.875 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TRP . . . 128.49 -46.68 1.06 Allowed Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.12 -1.192 . . . . 0.88 110.12 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.946 ' O ' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -73.07 -179.08 3.09 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.202 -1.175 . . . . 0.95 109.749 -179.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.946 HD22 ' O ' ' A' ' 30' ' ' THR . 2.7 mm? -133.62 128.61 35.48 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.298 -0.876 . . . . 1.44 109.755 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.48 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 44.7 m-85 -134.28 149.23 70.71 Favored Pre-proline 0 N--CA 1.489 1.523 0 O-C-N 121.368 -0.832 . . . . 1.2 108.863 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' CYS . 33.0 Cg_endo -75.51 139.21 22.75 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.106 1.87 . . . . 0.33 108.25 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.023 HD12 ' N ' ' A' ' 35' ' ' CYS . 0.9 OUTLIER -79.8 131.75 35.97 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.612 -1.305 . . . . 0.3 112.236 -178.309 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 1.023 ' N ' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -94.19 82.77 4.16 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-N 114.591 -1.186 . . . . 0.64 108.128 177.847 -130.091 105.487 -38.507 104.323 2.02 104.452 130.621 40.264 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG22 ' CD ' ' A' ' 53' ' ' ARG . 14.5 t -59.61 -40.7 82.81 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 O-C-N 121.406 -0.809 . . . . 0.36 109.939 -178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.63 -37.67 85.33 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 107.236 -1.394 . . . . 1.08 107.236 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.993 HG21 ' CA ' ' A' ' 43' ' ' GLY . 6.3 m -92.49 21.54 5.28 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.446 -1.316 . . . . 0.64 107.446 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.678 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 6.6 t -58.28 -9.39 1.49 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.153 -1.425 . . . . 0.32 107.153 178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 38' ' ' THR . 4.3 t-20 -87.12 36.52 0.73 Allowed 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.977 -1.01 . . . . 1.26 108.674 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.993 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . 126.86 -160.94 21.19 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 108.93 -1.668 . . . . 0.29 108.93 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.705 ' C ' HG21 ' A' ' 38' ' ' THR . 7.0 m95 -79.93 145.48 32.61 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.978 -1.307 . . . . 0.37 109.5 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.993 ' CA ' HG21 ' A' ' 38' ' ' THR . . . -141.65 -177.13 16.5 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.648 -1.381 . . . . 0.34 109.648 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 1.282 ' CH2' ' HA ' ' A' ' 48' ' ' ARG . 64.7 t-105 -137.53 116.48 12.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.329 -1.101 . . . . 0.43 109.361 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' SG ' ' A' ' 50' ' ' CYS . 7.6 tt0 -150.68 170.98 17.9 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.171 -0.956 . . . . 2.26 109.478 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.3 m-20 65.49 31.09 10.42 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.257 -0.902 . . . . 1.62 109.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.432 ' C ' ' HG3' ' A' ' 48' ' ' ARG . 3.1 tt0 60.1 18.28 7.59 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.461 -0.774 . . . . 2.3 109.314 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 1.282 ' HA ' ' CH2' ' A' ' 44' ' ' TRP . 16.4 mtp180 -146.73 -166.38 2.48 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.517 -0.74 . . . . 3.03 109.075 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.869 ' HG ' ' HZ3' ' A' ' 44' ' ' TRP . 0.7 OUTLIER -95.52 128.04 42.05 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.122 -0.986 . . . . 0.61 109.546 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.517 ' SG ' ' N ' ' A' ' 45' ' ' GLU . 1.7 p -112.09 135.36 52.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.27 -0.894 . . . . 0.36 109.288 179.723 40.264 130.621 -38.507 104.452 2.02 104.323 105.487 -130.091 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.619 HD11 ' CH2' ' A' ' 42' ' ' TRP . 6.3 mt -96.37 135.4 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.215 -0.928 . . . . 0.18 109.585 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.993 ' HB2' ' O ' ' A' ' 41' ' ' GLY . . . -40.87 172.42 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.571 0.7 . . . . 0.2 111.654 -179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.793 ' O ' ' HB3' ' A' ' 56' ' ' CYS . 0.2 OUTLIER -57.48 -82.45 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.64 -0.663 . . . . 2.86 110.924 -178.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.679 ' CB ' ' CB ' ' A' ' 58' ' ' ALA . 0.3 OUTLIER -58.62 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.837 -1.165 . . . . 1.27 109.471 -178.142 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.699 ' O ' ' HZ3' ' A' ' 27' ' ' TRP . 35.2 m -48.15 -29.95 4.15 Favored 'General case' 0 C--N 1.308 -1.22 0 N-CA-C 106.922 -1.51 . . . . 0.3 106.922 178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . 0.854 ' HB2' ' O ' ' A' ' 52' ' ' ALA . 42.0 t -72.21 -76.24 0.12 Allowed 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 122.193 0.996 . . . . 0.91 108.978 179.015 177.137 74.112 -103.897 103.235 2.01 102.112 -39.414 -43.145 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.921 ' HB2' HG13 ' A' ' 65' ' ' ILE . . . -93.8 -54.38 3.64 Favored 'General case' 0 C--N 1.283 -2.294 0 CA-C-N 115.618 -0.719 . . . . 0.75 112.165 -177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.679 ' CB ' ' CB ' ' A' ' 54' ' ' SER . . . -29.19 -35.03 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.104 -0.997 . . . . 0.81 110.827 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.645 ' NE2' ' CZ3' ' A' ' 27' ' ' TRP . 10.5 mt-30 -43.01 161.91 0.18 Allowed Pre-proline 0 N--CA 1.489 1.521 0 O-C-N 121.034 -1.041 . . . . 1.76 109.191 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.626 ' O ' ' CD2' ' A' ' 63' ' ' PHE . 32.2 Cg_endo -73.58 173.81 13.26 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.369 2.046 . . . . 1.02 111.041 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 62' ' ' PRO . . . -79.83 156.38 75.01 Favored Pre-proline 0 N--CA 1.492 1.664 0 O-C-N 121.203 -0.935 . . . . 1.22 109.687 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.552 ' HD2' ' CE1' ' A' ' 63' ' ' PHE . 35.6 Cg_endo -78.23 13.94 13.64 Favored 'Cis proline' 0 C--N 1.308 -1.574 0 C-N-CA 123.077 -1.635 . . . . 1.21 110.596 0.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.725 ' CE1' ' HA ' ' A' ' 28' ' ' TYR . 0.4 OUTLIER -71.29 164.69 25.22 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 108.359 -0.978 . . . . 1.47 108.359 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.786 ' HA2' ' O ' ' A' ' 57' ' ' ALA . . . 142.41 -166.65 26.39 Favored Glycine 0 N--CA 1.504 3.189 0 C-N-CA 117.232 -2.413 . . . . 0.63 113.159 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.921 HG13 ' HB2' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -74.81 125.58 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.58 -0.953 . . . . 1.3 110.192 -179.34 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.793 HG21 ' CD1' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -109.85 178.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 N-CA-C 108.069 -1.086 . . . . 0.69 108.069 178.043 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.458 ' H ' HG12 ' A' ' 66' ' ' VAL . . . 121.88 61.65 0.22 Allowed Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.6 -1.4 . . . . 1.93 109.6 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.54 86.39 2.46 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.357 -1.084 . . . . 4.2 109.468 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.305 0 CA-C-O 118.01 -1.439 . . . . 6.2 109.551 -179.962 . . . . . . . . 0 0 . 1 stop_ save_