data_2mj5_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 2mj5 _Structure_validation_residue.Date_analyzed 2016-10-08 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 . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.066 0.46 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.508 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 72.2 mt-30 -80.59 137.32 36.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 10.0 112.039 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.5 165.8 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.962 -1.017 . . . . 10.0 108.484 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -119.17 141.17 49.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.944 0.402 . . . . 10.0 111.048 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.53 119.76 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.626 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -98.28 125.61 43.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.582 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 160.32 14.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.12 -20.97 65.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.978 0.418 . . . . 10.0 111.423 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.26 -0.95 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.89 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 32.63 28.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.072 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -113.79 137.24 51.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.667 0.27 . . . . 10.0 110.598 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -113.6 107.2 15.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 mt -94.15 140.75 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -105.94 134.88 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 81.7 mt -132.3 154.48 49.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 10.0 111.252 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.9 105.17 14.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.29 156.58 23.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.286 0.565 . . . . 10.0 111.7 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.0 mt-10 -109.1 156.09 39.81 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.57 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.31 -27.22 47.07 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.587 2.191 . . . . 10.0 113.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -99.28 21.87 11.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.55 0.214 . . . . 10.0 111.534 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.2 m-20 -85.63 121.97 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 10.0 110.228 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.39 147.76 39.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.23 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.5 -36.37 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 10.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.91 -37.8 85.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.892 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -74.36 -30.67 62.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 10.0 110.138 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.23 -41.34 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.86 -32.86 73.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.237 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.2 76.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.198 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.81 -14.07 62.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.381 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.6 mt -98.41 -40.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -53.96 -42.91 69.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.98 -1.009 . . . . 10.0 112.734 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.16 -36.06 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -93.85 -40.53 10.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.18 -37.27 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 2.18 77.65 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.4 mt -82.0 129.44 64.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 122.192 0.197 . . . . 10.0 110.753 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 39.3 Cg_exo -57.54 136.33 75.19 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.004 2.469 . . . . 10.0 112.604 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 -33.0 98.37 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.248 2.632 . . . . 10.0 113.001 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -29.18 69.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.792 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -88.47 -23.35 23.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 109.867 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 73.3 mt-30 -71.07 121.69 18.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.23 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.04 128.29 51.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.795 0.331 . . . . 10.0 110.785 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -108.83 129.44 63.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.185 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -126.52 108.61 11.32 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.57 30.88 18.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.348 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 20.47 66.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.863 -0.685 . . . . 10.0 112.597 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -88.03 148.22 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.442 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.9 mt -107.49 117.09 33.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 10.0 109.946 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.4 135.54 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -27.5 69.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.064 -0.517 . . . . 10.0 111.257 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.32 22.25 33.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.923 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 58' ' ' ASP . 3.4 mmp_? -122.05 163.98 18.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.614 -0.345 . . . . 10.0 110.304 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 41.0 p -105.41 168.22 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.18 -35.08 74.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 10.0 110.929 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -25.77 67.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' CG ' ' HD3' ' A' ' 54' ' ' ARG . 3.8 m-20 -65.13 -30.77 71.73 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.141 0.496 . . . . 10.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.39 27.82 9.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.654 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.47 37.75 1.05 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.051 0.941 . . . . 10.0 112.922 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 70.7 mt -75.75 119.1 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -107.77 -162.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.099 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.95 146.77 43.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.346 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 61.8 21.03 11.91 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 147.79 42.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -107.65 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 10.0 111.232 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -106.11 135.19 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.674 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -93.5 137.02 33.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -113.83 119.24 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 10.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.55 144.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.58 135.06 54.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.675 0.274 . . . . 10.0 111.05 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -103.46 94.09 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 mt -78.32 143.85 36.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.409 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -116.21 138.76 51.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.13 -58.05 0.56 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.853 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.157 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.989 -0.444 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.36 160.23 46.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.5 2.134 . . . . 10.0 111.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.91 -38.45 13.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.734 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.6 144.44 5.65 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -78.1 147.08 34.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.701 0.286 . . . . 10.0 110.759 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 913' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 110.0 4.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.541 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.43 -12.2 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.055 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 915' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 -20.27 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 10.0 110.361 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 916' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -58.95 -32.02 69.23 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.285 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 917' ' ' THR . . . . . . . . . . . . . 1.5 m -58.38 -35.03 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.298 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.72 90.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 10.0 110.564 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 919' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.05 93.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.23 -42.07 84.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 921' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.62 -44.12 89.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.74 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 922' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' B' ' 926' ' ' GLU . . . -59.68 -41.22 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.652 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 923' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -64.05 -32.1 73.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.922 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 924' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.02 -36.91 61.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.451 . . . . 10.0 110.924 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 925' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -68.77 -28.16 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.417 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 926' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' B' ' 922' ' ' ALA . 70.9 mt-10 -69.75 -21.48 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.6 -0.273 . . . . 10.0 111.544 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 927' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.42 -80.77 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.038 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 928' ' ' GLY . . . . . . . . . . . . . . . 173.42 62.16 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.607 -0.806 . . . . 10.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 929' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -133.61 -58.96 0.87 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 930' ' ' CYS . . . . . . . . . . . . . 21.9 m 57.73 35.3 25.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.432 -0.803 . . . . 10.0 112.216 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 931' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.05 92.68 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.935 0.398 . . . . 10.0 110.286 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 932' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' B' ' 932' ' ' ARG . 31.2 ptt85 -64.33 -27.66 69.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 933' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.0 -48.62 43.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 934' ' ' LEU . . . . . 0.492 ' O ' ' HG3' ' B' ' 937' ' ' ARG . 23.6 tp -63.77 -36.75 84.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.07 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 935' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.11 -41.74 85.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.64 -42.92 90.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.276 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 937' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' B' ' 934' ' ' LEU . 0.1 OUTLIER -72.04 -18.63 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 10.0 110.889 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.8 -39.63 14.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 939' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.78 -40.4 92.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.398 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -73.31 -17.96 61.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 941' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.088 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 942' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.22 23.16 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 943' ' ' ASN . . . . . . . . . . . . . 10.7 m120 53.44 56.75 6.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.976 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 944' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 61.03 78.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 945' ' ' ASN . . . . . 0.511 ' O ' HG22 ' B' ' 949' ' ' VAL . 9.6 t-20 -134.28 91.17 2.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 946' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.18 -36.33 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.038 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 947' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.69 -39.32 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 10.0 111.165 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 948' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -37.82 38.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.325 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 949' ' ' VAL . . . . . 0.511 HG22 ' O ' ' B' ' 945' ' ' ASN . 73.4 t -58.41 -53.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.736 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 950' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.95 -46.26 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.874 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 951' ' ' THR . . . . . . . . . . . . . 1.8 m -70.68 -30.63 67.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.302 -0.408 . . . . 10.0 112.016 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 952' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 -42.17 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.61 -36.47 84.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.692 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 954' ' ' LEU . . . . . 0.522 ' O ' ' HB3' ' B' ' 958' ' ' ASN . 62.9 mt -65.31 -30.46 71.31 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.847 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 955' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -72.03 -14.87 62.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 956' ' ' LEU . . . . . . . . . . . . . 30.1 tp -84.47 -39.34 19.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.017 0.437 . . . . 10.0 110.235 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 957' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -131.65 81.47 1.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.035 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 958' ' ' ASN . . . . . 0.522 ' HB3' ' O ' ' B' ' 954' ' ' LEU . 32.5 p-10 -126.17 12.69 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.343 0.592 . . . . 10.0 110.683 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 959' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.106 -0.95 . . . . 10.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.066 0.46 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 72.2 mt-30 -80.59 137.32 36.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 10.0 112.039 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.5 165.8 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.962 -1.017 . . . . 10.0 108.484 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -119.17 141.17 49.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.944 0.402 . . . . 10.0 111.048 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.53 119.76 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.626 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -98.28 125.61 43.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.582 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 160.32 14.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.12 -20.97 65.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.978 0.418 . . . . 10.0 111.423 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.26 -0.95 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.89 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 32.63 28.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.072 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -113.79 137.24 51.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.667 0.27 . . . . 10.0 110.598 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -113.6 107.2 15.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 mt -94.15 140.75 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -105.94 134.88 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 81.7 mt -132.3 154.48 49.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 10.0 111.252 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.9 105.17 14.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.29 156.58 23.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.286 0.565 . . . . 10.0 111.7 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.0 mt-10 -109.1 156.09 39.81 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.57 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.31 -27.22 47.07 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.587 2.191 . . . . 10.0 113.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -99.28 21.87 11.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.55 0.214 . . . . 10.0 111.534 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.2 m-20 -85.63 121.97 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 10.0 110.228 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.39 147.76 39.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.23 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.5 -36.37 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 10.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.91 -37.8 85.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.892 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -74.36 -30.67 62.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 10.0 110.138 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.23 -41.34 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.86 -32.86 73.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.237 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.2 76.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.198 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.81 -14.07 62.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.381 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.6 mt -98.41 -40.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -53.96 -42.91 69.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.98 -1.009 . . . . 10.0 112.734 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.16 -36.06 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -93.85 -40.53 10.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.18 -37.27 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 2.18 77.65 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.4 mt -82.0 129.44 64.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 122.192 0.197 . . . . 10.0 110.753 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 39.3 Cg_exo -57.54 136.33 75.19 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.004 2.469 . . . . 10.0 112.604 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 -33.0 98.37 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.248 2.632 . . . . 10.0 113.001 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -29.18 69.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.792 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -88.47 -23.35 23.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 109.867 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 73.3 mt-30 -71.07 121.69 18.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.23 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.04 128.29 51.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.795 0.331 . . . . 10.0 110.785 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 HD11 ' B' ' 954' ' ' LEU . 4.8 mp -108.83 129.44 63.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -126.52 108.61 11.32 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.57 30.88 18.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.348 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 20.47 66.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.863 -0.685 . . . . 10.0 112.597 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -88.03 148.22 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.442 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.9 mt -107.49 117.09 33.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 10.0 109.946 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.4 135.54 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -27.5 69.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.064 -0.517 . . . . 10.0 111.257 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.32 22.25 33.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.923 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 58' ' ' ASP . 3.4 mmp_? -122.05 163.98 18.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.614 -0.345 . . . . 10.0 110.304 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 41.0 p -105.41 168.22 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 63.0 mt -60.18 -35.08 74.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 10.0 110.929 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -25.77 67.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' CG ' ' HD3' ' A' ' 54' ' ' ARG . 3.8 m-20 -65.13 -30.77 71.73 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.141 0.496 . . . . 10.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.39 27.82 9.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.654 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.47 37.75 1.05 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.051 0.941 . . . . 10.0 112.922 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 70.7 mt -75.75 119.1 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -107.77 -162.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.099 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.95 146.77 43.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.346 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 61.8 21.03 11.91 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 147.79 42.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -107.65 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 10.0 111.232 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -106.11 135.19 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.674 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -93.5 137.02 33.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -113.83 119.24 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 10.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.55 144.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.58 135.06 54.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.675 0.274 . . . . 10.0 111.05 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -103.46 94.09 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 mt -78.32 143.85 36.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.409 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -116.21 138.76 51.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.13 -58.05 0.56 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.853 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.157 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.989 -0.444 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.36 160.23 46.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.5 2.134 . . . . 10.0 111.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.91 -38.45 13.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.734 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.6 144.44 5.65 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -78.1 147.08 34.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.701 0.286 . . . . 10.0 110.759 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 913' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 110.0 4.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.541 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.43 -12.2 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.055 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 915' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 -20.27 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 10.0 110.361 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 916' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -58.95 -32.02 69.23 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.285 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 917' ' ' THR . . . . . . . . . . . . . 1.5 m -58.38 -35.03 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.298 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.72 90.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 10.0 110.564 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 919' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.05 93.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.23 -42.07 84.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 921' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.62 -44.12 89.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.74 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 922' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 926' ' ' GLU . . . -59.68 -41.22 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.652 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 923' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -64.05 -32.1 73.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.922 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 924' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.02 -36.91 61.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.451 . . . . 10.0 110.924 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 925' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -68.77 -28.16 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.417 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 926' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' B' ' 922' ' ' ALA . 70.9 mt-10 -69.75 -21.48 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.6 -0.273 . . . . 10.0 111.544 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 927' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.42 -80.77 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.038 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 928' ' ' GLY . . . . . . . . . . . . . . . 173.42 62.16 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.607 -0.806 . . . . 10.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 929' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -133.61 -58.96 0.87 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 930' ' ' CYS . . . . . . . . . . . . . 21.9 m 57.73 35.3 25.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.432 -0.803 . . . . 10.0 112.216 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 931' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.05 92.68 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.935 0.398 . . . . 10.0 110.286 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 932' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 932' ' ' ARG . 31.2 ptt85 -64.33 -27.66 69.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 933' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.0 -48.62 43.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 934' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' B' ' 937' ' ' ARG . 23.6 tp -63.77 -36.75 84.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.07 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 935' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.11 -41.74 85.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.64 -42.92 90.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.276 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 937' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' B' ' 934' ' ' LEU . 0.1 OUTLIER -72.04 -18.63 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 10.0 110.889 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.8 -39.63 14.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 939' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.78 -40.4 92.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.398 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -73.31 -17.96 61.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 941' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.088 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 942' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.22 23.16 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 943' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 53.44 56.75 6.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.976 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 944' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 61.03 78.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 945' ' ' ASN . . . . . 0.501 ' O ' HG23 ' B' ' 949' ' ' VAL . 9.6 t-20 -134.28 91.17 2.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 946' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.18 -36.33 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.038 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 947' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.69 -39.32 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 10.0 111.165 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 948' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -37.82 38.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.325 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 949' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 945' ' ' ASN . 73.4 t -58.41 -53.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.736 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 950' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.95 -46.26 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.874 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 951' ' ' THR . . . . . . . . . . . . . 1.8 m -70.68 -30.63 67.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.302 -0.408 . . . . 10.0 112.016 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 952' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 -42.17 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.61 -36.47 84.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.692 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 954' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' B' ' 958' ' ' ASN . 62.9 mt -65.31 -30.46 71.31 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.847 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 955' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -72.03 -14.87 62.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 956' ' ' LEU . . . . . . . . . . . . . 30.1 tp -84.47 -39.34 19.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.017 0.437 . . . . 10.0 110.235 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 957' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -131.65 81.47 1.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.035 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 958' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' B' ' 954' ' ' LEU . 32.5 p-10 -126.17 12.69 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.343 0.592 . . . . 10.0 110.683 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 959' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.106 -0.95 . . . . 10.0 109.26 179.85 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.066 0.46 . . . . 10.0 110.135 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.515 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 72.2 mt-30 -80.59 137.32 36.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.436 0.636 . . . . 10.0 112.039 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.5 165.8 28.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 114.962 -1.017 . . . . 10.0 108.484 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -119.17 141.17 49.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.944 0.402 . . . . 10.0 111.048 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.5 t -116.53 119.76 62.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.626 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -98.28 125.61 43.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.24 -0.436 . . . . 10.0 110.582 -179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.0 160.32 14.6 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.1 mt -63.12 -20.97 65.86 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.978 0.418 . . . . 10.0 111.423 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -80.26 -0.95 38.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.29 -0.414 . . . . 10.0 111.89 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.19 32.63 28.25 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.702 -0.761 . . . . 10.0 112.072 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -113.79 137.24 51.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.667 0.27 . . . . 10.0 110.598 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.3 m -113.6 107.2 15.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 mt -94.15 140.75 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.89 -0.595 . . . . 10.0 109.974 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 m -105.94 134.88 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.317 -0.623 . . . . 10.0 109.317 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 81.7 mt -132.3 154.48 49.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.989 0.423 . . . . 10.0 111.252 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.9 105.17 14.84 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.844 -1.169 . . . . 10.0 107.844 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.7 m -120.29 156.58 23.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.286 0.565 . . . . 10.0 111.7 -178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 28.0 mt-10 -109.1 156.09 39.81 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.506 -0.77 . . . . 10.0 109.57 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -54.31 -27.22 47.07 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.587 2.191 . . . . 10.0 113.193 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.8 t -99.28 21.87 11.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.55 0.214 . . . . 10.0 111.534 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 5.2 m-20 -85.63 121.97 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 10.0 110.228 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.39 147.76 39.73 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.23 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -54.5 -36.37 34.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.815 0.341 . . . . 10.0 111.121 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.91 -37.8 85.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.892 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -74.36 -30.67 62.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.826 0.346 . . . . 10.0 110.138 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -62.23 -41.34 91.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 N-CA-C 109.07 -0.715 . . . . 10.0 109.07 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -61.86 -32.86 73.24 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.237 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.76 -35.2 76.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.198 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.81 -14.07 62.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.914 -0.584 . . . . 10.0 110.381 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.6 mt -98.41 -40.51 9.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 178.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -53.96 -42.91 69.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.98 -1.009 . . . . 10.0 112.734 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -63.16 -36.06 82.37 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.956 0.724 . . . . 10.0 112.956 -178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -93.85 -40.53 10.12 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.993 0.738 . . . . 10.0 112.993 -178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -86.18 -37.27 18.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.129 0.418 . . . . 10.0 112.129 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.23 2.18 77.65 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.811 -0.709 . . . . 10.0 112.153 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.4 mt -82.0 129.44 64.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 C-N-CA 122.192 0.197 . . . . 10.0 110.753 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' ' 41' ' ' GLN . 39.3 Cg_exo -57.54 136.33 75.19 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.004 2.469 . . . . 10.0 112.604 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.09 -33.0 98.37 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.248 2.632 . . . . 10.0 113.001 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.22 -29.18 69.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.792 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -88.47 -23.35 23.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.027 0.441 . . . . 10.0 109.867 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 37' ' ' PRO . 73.3 mt-30 -71.07 121.69 18.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.571 -0.74 . . . . 10.0 111.23 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -125.89 122.33 35.74 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.546 -0.909 . . . . 10.0 108.546 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.9 mt -104.04 128.29 51.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.795 0.331 . . . . 10.0 110.785 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG12 HD11 ' B' ' 954' ' ' LEU . 4.8 mp -108.83 129.44 63.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.959 -0.564 . . . . 10.0 110.185 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -126.52 108.61 11.32 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.57 30.88 18.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.348 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.34 20.47 66.78 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.863 -0.685 . . . . 10.0 112.597 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -124.41 155.1 39.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -88.03 148.22 24.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.356 -0.383 . . . . 10.0 110.442 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.9 mt -107.49 117.09 33.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.29 -0.414 . . . . 10.0 109.946 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -70.4 135.54 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.736 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.51 -27.5 69.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.064 -0.517 . . . . 10.0 111.257 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.32 22.25 33.5 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 121.014 -0.612 . . . . 10.0 112.923 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 58' ' ' ASP . 3.4 mmp_? -122.05 163.98 18.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 122.614 -0.345 . . . . 10.0 110.304 179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 58' ' ' ASP . 41.0 p -105.41 168.22 9.22 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.777 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . 63.0 mt -60.18 -35.08 74.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.923 0.392 . . . . 10.0 110.929 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -25.77 67.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 10.0 111.35 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' CG ' ' HD3' ' A' ' 54' ' ' ARG . 3.8 m-20 -65.13 -30.77 71.73 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.141 0.496 . . . . 10.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -111.39 27.82 9.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.654 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 42.47 37.75 1.05 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.051 0.941 . . . . 10.0 112.922 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 56' ' ' LEU . 70.7 mt -75.75 119.1 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -107.77 -162.48 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.099 -178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -73.95 146.77 43.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.346 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 61.8 21.03 11.91 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 113.064 0.764 . . . . 10.0 113.064 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.0 m -74.02 147.79 42.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.401 -0.592 . . . . 10.0 109.401 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 m -107.65 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.184 0.516 . . . . 10.0 111.232 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mp -106.11 135.19 48.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.641 -0.709 . . . . 10.0 109.674 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -93.5 137.02 33.21 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 tp -113.83 119.24 36.64 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.951 0.405 . . . . 10.0 111.108 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 66.4 t -128.55 144.05 39.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.99 -0.745 . . . . 10.0 108.99 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.3 mt -119.58 135.06 54.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.675 0.274 . . . . 10.0 111.05 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -103.46 94.09 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.996 -0.742 . . . . 10.0 108.996 178.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 mt -78.32 143.85 36.58 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.86 -0.609 . . . . 10.0 111.409 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -116.21 138.76 51.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -108.13 -58.05 0.56 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.905 -0.664 . . . . 10.0 112.587 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.853 0 CA-C-O 118.685 -1.064 . . . . 10.0 112.157 -179.482 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.89 0 N-CA-C 111.989 -0.444 . . . . 10.0 111.989 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.36 160.23 46.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.5 2.134 . . . . 10.0 111.932 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 9.7 mp -89.91 -38.45 13.68 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.734 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.6 144.44 5.65 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.653 -0.784 . . . . 10.0 112.407 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.6 m -78.1 147.08 34.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.701 0.286 . . . . 10.0 110.759 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 913' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.09 110.0 4.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.076 0.465 . . . . 10.0 110.541 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 914' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.43 -12.2 61.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.055 -179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 915' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -67.66 -20.27 65.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.108 0.48 . . . . 10.0 110.361 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 916' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -58.95 -32.02 69.23 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.667 -0.697 . . . . 10.0 110.285 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 917' ' ' THR . . . . . . . . . . . . . 1.5 m -58.38 -35.03 71.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.7 -0.682 . . . . 10.0 111.298 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 918' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.72 90.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.831 0.348 . . . . 10.0 110.564 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 919' ' ' ALA . . . . . . . . . . . . . . . -64.62 -39.05 93.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.426 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 920' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.23 -42.07 84.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.908 -0.587 . . . . 10.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 921' ' ' MET . . . . . . . . . . . . . 8.8 mmt -58.62 -44.12 89.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.545 -0.752 . . . . 10.0 110.74 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 922' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' B' ' 926' ' ' GLU . . . -59.68 -41.22 90.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.748 -0.66 . . . . 10.0 111.652 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 923' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -64.05 -32.1 73.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.922 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 924' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.02 -36.91 61.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.048 0.451 . . . . 10.0 110.924 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 925' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -68.77 -28.16 66.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 10.0 111.417 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 926' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' B' ' 922' ' ' ALA . 70.9 mt-10 -69.75 -21.48 63.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.6 -0.273 . . . . 10.0 111.544 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 927' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.42 -80.77 0.12 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.038 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 928' ' ' GLY . . . . . . . . . . . . . . . 173.42 62.16 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.607 -0.806 . . . . 10.0 112.102 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 929' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -133.61 -58.96 0.87 Allowed 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.429 -0.582 . . . . 10.0 109.429 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 930' ' ' CYS . . . . . . . . . . . . . 21.9 m 57.73 35.3 25.43 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.432 -0.803 . . . . 10.0 112.216 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 931' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.05 92.68 3.72 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.935 0.398 . . . . 10.0 110.286 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 932' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' B' ' 932' ' ' ARG . 31.2 ptt85 -64.33 -27.66 69.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.894 -0.594 . . . . 10.0 111.156 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 933' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -72.0 -48.62 43.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.443 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 934' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' B' ' 937' ' ' ARG . 23.6 tp -63.77 -36.75 84.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.005 -0.543 . . . . 10.0 110.07 179.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 935' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.11 -41.74 85.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.004 -0.543 . . . . 10.0 110.704 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 936' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.64 -42.92 90.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.276 -178.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 937' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' B' ' 934' ' ' LEU . 0.1 OUTLIER -72.04 -18.63 61.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.822 0.344 . . . . 10.0 110.889 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 938' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.8 -39.63 14.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 939' ' ' LEU . . . . . . . . . . . . . 37.9 mt -60.78 -40.4 92.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.398 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 940' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -73.31 -17.96 61.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 10.0 111.071 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 941' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -32.29 59.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.41 -0.359 . . . . 10.0 111.088 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 942' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -121.22 23.16 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.291 0.478 . . . . 10.0 112.291 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 943' ' ' ASN . . . . . . . . . . . . . 10.7 m120 53.44 56.75 6.94 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.976 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 944' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 61.03 78.32 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 10.0 111.231 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 945' ' ' ASN . . . . . 0.501 ' O ' HG23 ' B' ' 949' ' ' VAL . 9.6 t-20 -134.28 91.17 2.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.363 179.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 946' ' ' ILE . . . . . . . . . . . . . 6.0 tp -57.18 -36.33 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-N 115.831 -0.622 . . . . 10.0 112.038 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 947' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.69 -39.32 93.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.988 0.423 . . . . 10.0 111.165 -179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 948' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.03 -37.82 38.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.325 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 949' ' ' VAL . . . . . 0.501 HG23 ' O ' ' B' ' 945' ' ' ASN . 73.4 t -58.41 -53.24 49.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.526 -0.306 . . . . 10.0 111.736 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 950' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.95 -46.26 94.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.874 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 951' ' ' THR . . . . . . . . . . . . . 1.8 m -70.68 -30.63 67.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.302 -0.408 . . . . 10.0 112.016 -178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 952' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.22 -42.17 66.05 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.468 -0.567 . . . . 10.0 109.468 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 953' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.61 -36.47 84.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.487 -0.779 . . . . 10.0 110.692 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 954' ' ' LEU . . . . . 0.528 ' O ' ' HB3' ' B' ' 958' ' ' ASN . 62.9 mt -65.31 -30.46 71.31 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 116.393 -0.367 . . . . 10.0 110.847 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 955' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -72.03 -14.87 62.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 10.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 956' ' ' LEU . . . . . . . . . . . . . 30.1 tp -84.47 -39.34 19.03 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.017 0.437 . . . . 10.0 110.235 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 957' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -131.65 81.47 1.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.035 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 958' ' ' ASN . . . . . 0.528 ' HB3' ' O ' ' B' ' 954' ' ' LEU . 32.5 p-10 -126.17 12.69 7.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.343 0.592 . . . . 10.0 110.683 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 959' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.243 0.738 0 CA-C-O 118.106 -0.95 . . . . 10.0 109.26 179.85 . . . . . . . . 1 1 . 1 stop_ save_