data_1k3h_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 1k3h _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.648 -1.242 . . . . 10.0 107.648 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.47 96.48 2.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.01 -51.46 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.921 1.288 . . . . 10.0 111.343 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -46.81 86.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.914 -176.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.87 85.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.782 0.433 . . . . 10.0 110.691 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.76 -54.76 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 175.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 22.4 t -52.78 -48.93 49.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.371 0.668 . . . . 10.0 110.602 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -54.51 -21.32 9.78 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.698 1.599 . . . . 10.0 113.166 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -134.99 42.62 2.77 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.377 0.99 . . . . 10.0 113.57 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HZ3' ' CD ' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -161.62 -43.08 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 119.159 -0.448 . . . . 10.0 110.365 168.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.26 -50.11 6.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 118.616 0.644 . . . . 10.0 110.566 -172.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.87 -26.26 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.593 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -37.84 0.58 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.182 1.793 . . . . 10.0 112.499 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.0 m -118.5 -39.28 3.03 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.169 0.588 . . . . 10.0 112.077 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -76.21 -4.68 43.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.538 0.735 . . . . 10.0 112.903 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.29 150.3 9.65 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.1 0.9 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.519 1.533 . . . . 10.0 113.15 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -105.92 0.63 26.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.659 -1.163 . . . . 10.0 111.871 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 70.21 11.21 7.51 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.182 1.81 . . . . 10.0 111.568 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -81.43 -11.72 59.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 129.421 3.088 . . . . 10.0 109.794 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.71 156.75 30.22 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 109.166 -1.573 . . . . 10.0 109.166 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.12 -82.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.8 0.84 . . . . 10.0 109.653 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -92.79 1.78 57.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.836 0.854 . . . . 10.0 110.616 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.62 159.9 40.03 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 126.456 1.902 . . . . 10.0 107.034 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.12 166.46 23.01 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.757 2.971 . . . . 10.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.74 125.74 29.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.893 -0.505 . . . . 10.0 110.658 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.5 pt -109.05 0.32 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.323 1.049 . . . . 10.0 111.912 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -38.67 -43.06 0.85 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.634 1.174 . . . . 10.0 113.03 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -121.37 34.63 5.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.331 1.052 . . . . 10.0 109.975 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.01 65.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.48 -27.86 42.65 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 123.987 0.804 . . . . 10.0 114.307 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.41 55.98 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.332 1.066 . . . . 10.0 110.893 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.84 -44.91 10.74 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.903 0.881 . . . . 10.0 110.582 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -137.55 144.45 42.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.352 1.461 . . . . 10.0 108.497 -166.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -80.51 165.98 21.62 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.37 0.532 . . . . 10.0 110.581 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -47.72 -45.39 28.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.623 1.169 . . . . 10.0 111.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -52.24 -49.65 63.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.034 0.534 . . . . 10.0 111.549 174.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.71 -43.75 71.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.613 0.72 . . . . 10.0 109.776 -175.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -50.21 74.76 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.264 1.026 . . . . 10.0 108.689 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.13 -53.03 38.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.465 0.306 . . . . 10.0 110.43 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.78 -49.09 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 121.729 -0.607 . . . . 10.0 110.541 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 55.5 mt -53.24 -45.88 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 O-C-N 120.595 -1.316 . . . . 10.0 110.721 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.25 -34.09 72.41 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -121.57 20.34 11.1 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.49 1.041 . . . . 10.0 110.533 -163.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 26.7 -141.66 0.01 OUTLIER Glycine 0 CA--C 1.538 1.487 0 C-N-CA 129.488 3.423 . . . . 10.0 111.604 -161.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 175.33 130.03 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.448 1.499 . . . . 10.0 109.052 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.58 -113.85 1.29 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.172 -0.794 . . . . 10.0 112.648 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.37 -26.2 74.78 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.15 1.475 . . . . 10.0 112.1 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.5 ttt -73.58 123.46 89.43 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.747 1.219 . . . . 10.0 112.105 -176.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.85 145.73 18.08 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.485 2.79 . . . . 10.0 110.227 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.4 153.48 27.63 Favored Glycine 0 C--N 1.332 0.331 0 N-CA-C 115.129 0.812 . . . . 10.0 115.129 -175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.95 30.78 65.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 124.046 0.831 . . . . 10.0 111.3 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.2 -61.29 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 125.398 1.479 . . . . 10.0 109.236 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.85 164.45 13.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.072 0.949 . . . . 10.0 110.513 154.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -145.14 163.02 35.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.15 0.58 . . . . 10.0 112.128 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.43 -143.65 38.15 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.53 -0.628 . . . . 10.0 111.53 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.62 32.84 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.697 0.799 . . . . 10.0 111.876 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.507 ' CD ' ' HZ3' ' A' ' 31' ' ' LYS . 5.4 tt0 -53.7 -61.43 2.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.146 0.978 . . . . 10.0 108.666 173.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.28 78.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.948 0.899 . . . . 10.0 111.199 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.34 -51.36 67.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.559 0.743 . . . . 10.0 110.985 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.41 72.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 70.2 t -55.7 -55.67 16.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 N-CA-C 111.173 0.064 . . . . 10.0 111.173 178.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.08 -52.98 22.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.666 0.786 . . . . 10.0 111.627 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.99 -50.89 72.36 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.418 0.627 . . . . 10.0 110.975 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 80.9 t90 -57.07 -47.82 80.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.636 0.774 . . . . 10.0 110.166 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.98 -35.3 78.11 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 118.305 -0.855 . . . . 10.0 112.857 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -53.29 -41.59 65.75 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.496 1.044 . . . . 10.0 109.979 172.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.07 -39.24 93.63 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.574 -0.727 . . . . 10.0 112.059 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.35 127.12 32.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.949 1.25 . . . . 10.0 111.331 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.686 1.994 . . . . 10.0 105.677 -174.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HEC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.648 -1.242 . . . . 10.0 107.648 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.47 96.48 2.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.01 -51.46 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.921 1.288 . . . . 10.0 111.343 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -46.81 86.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.914 -176.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.87 85.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.782 0.433 . . . . 10.0 110.691 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.76 -54.76 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 175.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 84' ' ' VAL . 22.4 t -52.78 -48.93 49.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.371 0.668 . . . . 10.0 110.602 -178.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -54.51 -21.32 9.78 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.698 1.599 . . . . 10.0 113.166 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -134.99 42.62 2.77 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.377 0.99 . . . . 10.0 113.57 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.62 -43.08 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 119.159 -0.448 . . . . 10.0 110.365 168.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.26 -50.11 6.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 118.616 0.644 . . . . 10.0 110.566 -172.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.87 -26.26 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.593 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -37.84 0.58 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.182 1.793 . . . . 10.0 112.499 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.0 m -118.5 -39.28 3.03 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.169 0.588 . . . . 10.0 112.077 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -76.21 -4.68 43.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.538 0.735 . . . . 10.0 112.903 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.29 150.3 9.65 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.1 0.9 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.519 1.533 . . . . 10.0 113.15 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -105.92 0.63 26.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.659 -1.163 . . . . 10.0 111.871 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 70.21 11.21 7.51 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.182 1.81 . . . . 10.0 111.568 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -81.43 -11.72 59.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 129.421 3.088 . . . . 10.0 109.794 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.71 156.75 30.22 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 109.166 -1.573 . . . . 10.0 109.166 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.12 -82.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.8 0.84 . . . . 10.0 109.653 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -92.79 1.78 57.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.836 0.854 . . . . 10.0 110.616 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.62 159.9 40.03 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 126.456 1.902 . . . . 10.0 107.034 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.12 166.46 23.01 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.757 2.971 . . . . 10.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.74 125.74 29.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.893 -0.505 . . . . 10.0 110.658 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.5 pt -109.05 0.32 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.323 1.049 . . . . 10.0 111.912 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -38.67 -43.06 0.85 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.634 1.174 . . . . 10.0 113.03 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -121.37 34.63 5.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.331 1.052 . . . . 10.0 109.975 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.01 65.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.48 -27.86 42.65 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 123.987 0.804 . . . . 10.0 114.307 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.41 55.98 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.332 1.066 . . . . 10.0 110.893 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.84 -44.91 10.74 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.903 0.881 . . . . 10.0 110.582 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -137.55 144.45 42.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.352 1.461 . . . . 10.0 108.497 -166.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -80.51 165.98 21.62 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.37 0.532 . . . . 10.0 110.581 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -47.72 -45.39 28.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.623 1.169 . . . . 10.0 111.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -52.24 -49.65 63.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.034 0.534 . . . . 10.0 111.549 174.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.71 -43.75 71.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.613 0.72 . . . . 10.0 109.776 -175.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -50.21 74.76 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.264 1.026 . . . . 10.0 108.689 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.13 -53.03 38.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.465 0.306 . . . . 10.0 110.43 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.78 -49.09 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 121.729 -0.607 . . . . 10.0 110.541 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 HMB2 ' A' ' 93' ' ' HEC . 55.5 mt -53.24 -45.88 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 O-C-N 120.595 -1.316 . . . . 10.0 110.721 176.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.25 -34.09 72.41 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -121.57 20.34 11.1 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.49 1.041 . . . . 10.0 110.533 -163.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.457 ' H ' ' HA2' ' A' ' 73' ' ' GLY . . . 26.7 -141.66 0.01 OUTLIER Glycine 0 CA--C 1.538 1.487 0 C-N-CA 129.488 3.423 . . . . 10.0 111.604 -161.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 175.33 130.03 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.448 1.499 . . . . 10.0 109.052 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.58 -113.85 1.29 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.172 -0.794 . . . . 10.0 112.648 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.37 -26.2 74.78 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.15 1.475 . . . . 10.0 112.1 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.412 ' HB2' ' C1D' ' A' ' 93' ' ' HEC . 19.5 ttt -73.58 123.46 89.43 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.747 1.219 . . . . 10.0 112.105 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.85 145.73 18.08 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.485 2.79 . . . . 10.0 110.227 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.457 ' HA2' ' H ' ' A' ' 67' ' ' GLY . . . -85.4 153.48 27.63 Favored Glycine 0 C--N 1.332 0.331 0 N-CA-C 115.129 0.812 . . . . 10.0 115.129 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.95 30.78 65.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 124.046 0.831 . . . . 10.0 111.3 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.412 HD13 HMC2 ' A' ' 93' ' ' HEC . 1.1 mt -54.2 -61.29 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 125.398 1.479 . . . . 10.0 109.236 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.85 164.45 13.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.072 0.949 . . . . 10.0 110.513 154.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -145.14 163.02 35.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.15 0.58 . . . . 10.0 112.128 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.43 -143.65 38.15 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.53 -0.628 . . . . 10.0 111.53 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.62 32.84 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.697 0.799 . . . . 10.0 111.876 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.7 -61.43 2.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.146 0.978 . . . . 10.0 108.666 173.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.28 78.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.948 0.899 . . . . 10.0 111.199 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.34 -51.36 67.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.559 0.743 . . . . 10.0 110.985 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.41 72.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG11 HMB1 ' A' ' 93' ' ' HEC . 70.2 t -55.7 -55.67 16.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 N-CA-C 111.173 0.064 . . . . 10.0 111.173 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.08 -52.98 22.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.666 0.786 . . . . 10.0 111.627 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -58.99 -50.89 72.36 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.418 0.627 . . . . 10.0 110.975 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TRP . . . . . 0.428 ' CZ3' HG21 ' A' ' 28' ' ' VAL . 80.9 t90 -57.07 -47.82 80.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.636 0.774 . . . . 10.0 110.166 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.98 -35.3 78.11 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 118.305 -0.855 . . . . 10.0 112.857 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 86' ' ' ALA . . . -53.29 -41.59 65.75 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.496 1.044 . . . . 10.0 109.979 172.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.07 -39.24 93.63 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.574 -0.727 . . . . 10.0 112.059 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.35 127.12 32.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.949 1.25 . . . . 10.0 111.331 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.686 1.994 . . . . 10.0 105.677 -174.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HEC . . . . . 0.484 HMB1 HG11 ' A' ' 84' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.8 t . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 107.648 -1.242 . . . . 10.0 107.648 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -74.47 96.48 2.92 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 108.597 -0.89 . . . . 10.0 108.597 -174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.01 -51.46 7.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.921 1.288 . . . . 10.0 111.343 177.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.82 -46.81 86.23 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.914 -176.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.53 -46.87 85.91 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.782 0.433 . . . . 10.0 110.691 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.76 -54.76 22.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 109.527 -0.546 . . . . 10.0 109.527 175.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 84' ' ' VAL . 22.4 t -52.78 -48.93 49.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.371 0.668 . . . . 10.0 110.602 -178.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -54.51 -21.32 9.78 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.698 1.599 . . . . 10.0 113.166 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -134.99 42.62 2.77 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 119.377 0.99 . . . . 10.0 113.57 175.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.62 -43.08 0.04 OUTLIER 'General case' 0 C--O 1.225 -0.195 0 CA-C-O 119.159 -0.448 . . . . 10.0 110.365 168.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 m -91.26 -50.11 6.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 118.616 0.644 . . . . 10.0 110.566 -172.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.87 -26.26 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.593 -174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -37.84 0.58 Allowed 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.182 1.793 . . . . 10.0 112.499 171.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 50.0 m -118.5 -39.28 3.03 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.169 0.588 . . . . 10.0 112.077 174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 81.0 m-70 -76.21 -4.68 43.15 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.538 0.735 . . . . 10.0 112.903 -175.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.29 150.3 9.65 Favored Glycine 0 C--N 1.336 0.567 0 N-CA-C 109.602 -1.399 . . . . 10.0 109.602 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -40.95 -35.1 0.9 Allowed Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.519 1.533 . . . . 10.0 113.15 178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -105.92 0.63 26.01 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 117.659 -1.163 . . . . 10.0 111.871 -169.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.8 mt 70.21 11.21 7.51 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-N 121.182 1.81 . . . . 10.0 111.568 177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.7 p -81.43 -11.72 59.16 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 129.421 3.088 . . . . 10.0 109.794 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.71 156.75 30.22 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 109.166 -1.573 . . . . 10.0 109.166 -177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.12 -82.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.8 0.84 . . . . 10.0 109.653 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 70.5 m -92.79 1.78 57.1 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.836 0.854 . . . . 10.0 110.616 168.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -147.62 159.9 40.03 Favored Pre-proline 0 N--CA 1.448 -0.546 0 C-N-CA 126.456 1.902 . . . . 10.0 107.034 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.12 166.46 23.01 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 123.757 2.971 . . . . 10.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.74 125.74 29.4 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.893 -0.505 . . . . 10.0 110.658 -175.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 28.5 pt -109.05 0.32 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 124.323 1.049 . . . . 10.0 111.912 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -38.67 -43.06 0.85 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.634 1.174 . . . . 10.0 113.03 174.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -121.37 34.63 5.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 124.331 1.052 . . . . 10.0 109.975 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.78 -43.01 65.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.005 -0.739 . . . . 10.0 109.005 170.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.48 -27.86 42.65 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 123.987 0.804 . . . . 10.0 114.307 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.81 -29.41 55.98 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.332 1.066 . . . . 10.0 110.893 176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -87.84 -44.91 10.74 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.903 0.881 . . . . 10.0 110.582 -174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -137.55 144.45 42.1 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.352 1.461 . . . . 10.0 108.497 -166.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -80.51 165.98 21.62 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.37 0.532 . . . . 10.0 110.581 178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.3 pm0 -47.72 -45.39 28.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.623 1.169 . . . . 10.0 111.948 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -52.24 -49.65 63.59 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.034 0.534 . . . . 10.0 111.549 174.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -69.71 -43.75 71.76 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.613 0.72 . . . . 10.0 109.776 -175.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 mt -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 N-CA-C 109.138 -0.69 . . . . 10.0 109.138 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.76 -50.21 74.76 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 124.264 1.026 . . . . 10.0 108.689 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -51.13 -53.03 38.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 122.465 0.306 . . . . 10.0 110.43 176.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 70.5 mt -56.78 -49.09 79.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 121.729 -0.607 . . . . 10.0 110.541 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 HD11 HMB2 ' A' ' 93' ' ' HEC . 55.5 mt -53.24 -45.88 55.82 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 O-C-N 120.595 -1.316 . . . . 10.0 110.721 176.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.25 -34.09 72.41 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.185 0.809 . . . . 10.0 113.185 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -121.57 20.34 11.1 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.49 1.041 . . . . 10.0 110.533 -163.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.457 ' H ' ' HA2' ' A' ' 73' ' ' GLY . . . 26.7 -141.66 0.01 OUTLIER Glycine 0 CA--C 1.538 1.487 0 C-N-CA 129.488 3.423 . . . . 10.0 111.604 -161.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 175.33 130.03 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.448 1.499 . . . . 10.0 109.052 178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.58 -113.85 1.29 Allowed Glycine 0 CA--C 1.533 1.193 0 CA-C-O 119.172 -0.794 . . . . 10.0 112.648 178.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -69.37 -26.2 74.78 Favored Glycine 0 CA--C 1.533 1.158 0 CA-C-N 119.15 1.475 . . . . 10.0 112.1 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.412 ' HB2' ' C1D' ' A' ' 93' ' ' HEC . 19.5 ttt -73.58 123.46 89.43 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.747 1.219 . . . . 10.0 112.105 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.85 145.73 18.08 Favored 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.485 2.79 . . . . 10.0 110.227 173.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.457 ' HA2' ' H ' ' A' ' 67' ' ' GLY . . . -85.4 153.48 27.63 Favored Glycine 0 C--N 1.332 0.331 0 N-CA-C 115.129 0.812 . . . . 10.0 115.129 -175.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.95 30.78 65.19 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 124.046 0.831 . . . . 10.0 111.3 176.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.412 HD13 HMC2 ' A' ' 93' ' ' HEC . 1.1 mt -54.2 -61.29 0.99 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 C-N-CA 125.398 1.479 . . . . 10.0 109.236 176.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -91.85 164.45 13.67 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.072 0.949 . . . . 10.0 110.513 154.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -145.14 163.02 35.62 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.15 0.58 . . . . 10.0 112.128 172.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 56.43 -143.65 38.15 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.53 -0.628 . . . . 10.0 111.53 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.22 -31.62 32.84 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.697 0.799 . . . . 10.0 111.876 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -53.7 -61.43 2.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.146 0.978 . . . . 10.0 108.666 173.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.28 78.21 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.948 0.899 . . . . 10.0 111.199 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -55.34 -51.36 67.02 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 123.559 0.743 . . . . 10.0 110.985 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.07 -50.41 72.84 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.027 -0.36 . . . . 10.0 110.027 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.484 HG11 HMB1 ' A' ' 93' ' ' HEC . 70.2 t -55.7 -55.67 16.36 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.154 0 N-CA-C 111.173 0.064 . . . . 10.0 111.173 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -49.08 -52.98 22.51 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.666 0.786 . . . . 10.0 111.627 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 89' ' ' ALA . . . -58.99 -50.89 72.36 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.418 0.627 . . . . 10.0 110.975 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TRP . . . . . 0.428 ' CZ3' HG21 ' A' ' 28' ' ' VAL . 80.9 t90 -57.07 -47.82 80.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.636 0.774 . . . . 10.0 110.166 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.98 -35.3 78.11 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 118.305 -0.855 . . . . 10.0 112.857 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 86' ' ' ALA . . . -53.29 -41.59 65.75 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 119.496 1.044 . . . . 10.0 109.979 172.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -64.07 -39.24 93.63 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-O 118.574 -0.727 . . . . 10.0 112.059 171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -74.35 127.12 32.21 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.949 1.25 . . . . 10.0 111.331 -174.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.4 mttt . . . . . 0 C--O 1.25 1.123 0 C-N-CA 126.686 1.994 . . . . 10.0 105.677 -174.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HEC . . . . . 0.484 HMB1 HG11 ' A' ' 84' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_