data_1wn8_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 1wn8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 9' ' ' LEU . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' HD23 ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 16' ' ' MET . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.946 0.403 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.533 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.44 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.887 ' HA ' ' HE2' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.924 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.936 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.563 ' HG2' ' OE2' ' A' ' 15' ' ' GLU . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.997 0.427 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' HA ' HD11 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.809 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.809 HD23 ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.522 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.953 0.406 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.42 ' HB2' ' HE2' ' A' ' 11' ' ' MET . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.499 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.436 ' HE2' ' HB3' ' A' ' 11' ' ' MET . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.798 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.798 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.641 ' N ' HD11 ' A' ' 9' ' ' LEU . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.501 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.682 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.767 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.485 HG21 ' N ' ' A' ' 9' ' ' LEU . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.466 HG21 ' N ' ' A' ' 8' ' ' THR . 14.7 t . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.583 0.23 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 7' ' ' THR . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' H ' HG23 ' A' ' 8' ' ' THR . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 11' ' ' MET . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.679 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.679 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt . . . . . 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.545 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD13 HD21 ' A' ' 9' ' ' LEU . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.174 0.512 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.878 ' HE3' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.971 0.415 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.623 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.623 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.502 ' HE1' ' CD1' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.439 -1.016 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' LEU . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.837 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' CA ' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 7.1 m -127.38 44.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.162 0.481 . . . . 0.0 110.257 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 8.9 mptt 71.81 -51.37 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.054 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p -71.8 1.5 6.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.747 0.784 . . . . 0.0 110.49 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 3' ' ' LYS . 20.2 p -157.45 44.41 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -165.79 -46.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.742 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m -63.79 -52.69 59.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.58 ' N ' HD13 ' A' ' 9' ' ' LEU . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.55 ' HA ' HD23 ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.55 HD23 ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.612 ' HA ' HD22 ' A' ' 21' ' ' LEU . 60.3 mt -65.28 -36.07 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -90.52 13.77 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.0 31.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.564 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.863 ' HG ' ' HD3' ' A' ' 22' ' ' PRO . 4.0 pp -96.55 -38.01 0.27 Allowed Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.863 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 98.1 Cg_endo . . . . . 0 C--N 1.365 1.4 0 C-N-CA 121.762 1.641 . . . . 0.0 112.54 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.672 HG12 ' H ' ' A' ' 3' ' ' LYS . 3.2 p -77.58 -55.37 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 117.214 0.507 . . . . 0.0 110.969 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.672 ' H ' HG12 ' A' ' 2' ' ' VAL . 31.5 mmmt -78.36 -38.11 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.34 57.83 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.163 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.711 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.9 p 178.04 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.516 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -56.43 -41.92 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.017 179.2 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m -63.7 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.201 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 5' ' ' SER . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.492 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.415 ' HE1' ' HB3' ' A' ' 16' ' ' MET . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? -65.77 -35.53 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -73.86 -30.47 62.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.36 -41.71 16.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.287 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' HD13 ' A' ' 21' ' ' LEU . 4.2 mm? -84.44 121.71 75.11 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.704 0.288 . . . . 0.0 111.4 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 3.3 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.476 2.784 . . . . 0.0 112.128 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.503 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -90.3 57.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.886 0.851 . . . . 0.0 110.298 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.499 ' C ' ' H ' ' A' ' 5' ' ' SER . 9.6 tptt 71.36 -50.26 0.69 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.388 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 p -71.5 15.87 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.398 0.618 . . . . 0.0 111.351 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.503 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 2.2 p -161.4 43.79 0.16 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.597 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -164.08 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.662 -178.479 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -70.43 -39.26 74.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.734 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.597 HD21 ' HA ' ' A' ' 6' ' ' GLU . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.533 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.533 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp -72.22 -24.95 61.47 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HE3' ' HB2' ' A' ' 15' ' ' GLU . 97.3 mttt -74.53 -36.81 63.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.824 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.68 64.37 0.1 OUTLIER Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.412 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.668 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 53.9 tp -77.21 -53.41 1.67 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 119.768 -0.158 . . . . 0.0 111.249 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.668 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 87.6 Cg_endo . . . . . 0 C--O 1.248 1.003 0 C-N-CA 122.166 1.911 . . . . 0.0 112.564 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG23 ' H ' ' A' ' 3' ' ' LYS . 4.4 m -92.14 -55.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 0.0 110.182 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.608 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.3 mmtt -78.85 62.52 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.091 0.948 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -159.45 -42.81 0.05 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.093 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.591 ' HA ' HD22 ' A' ' 9' ' ' LEU . 2.8 p -86.79 -43.52 12.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' CD ' ' HZ3' ' A' ' 3' ' ' LYS . 2.0 tm-20 -88.24 29.62 0.94 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.923 -1.49 . . . . 0.0 108.209 178.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -144.22 -69.08 0.31 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.626 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.591 HD22 ' HA ' ' A' ' 5' ' ' SER . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.447 ' HA ' HD13 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.447 HD13 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.44 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.6 ' HB3' HD13 ' A' ' 21' ' ' LEU . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.38 -29.66 69.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -94.71 -24.49 17.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 60.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.608 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.709 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 7.4 tt -71.68 -54.75 6.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.4 2.066 . . . . 0.0 112.682 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 14.4 p -141.97 41.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.206 1.003 . . . . 0.0 108.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 76.92 -51.81 0.57 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.155 -1.384 . . . . 0.0 110.273 -179.173 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -80.68 20.52 0.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.486 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -166.06 39.76 0.06 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -173.95 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.704 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -67.59 -49.66 62.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.175 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.887 ' HA ' ' HE2' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.924 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' HZ2' ' A' ' 19' ' ' LYS . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt -67.04 -39.13 86.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 10.4 ptmt -81.52 -26.82 34.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.332 . . . . 0.0 111.364 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.04 -41.01 23.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.079 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 3.8 mm? -90.46 119.56 69.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.667 0.27 . . . . 0.0 110.886 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 123.48 2.786 . . . . 0.0 111.949 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.446 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 39.9 t 65.13 -81.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 122.982 0.513 . . . . 0.0 110.616 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.414 ' HZ1' ' CD ' ' A' ' 6' ' ' GLU . 5.0 mptp? -73.84 48.54 0.29 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.501 0.667 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 5' ' ' SER . 57.1 p -155.48 -7.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.361 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' H ' ' H ' ' A' ' 4' ' ' SER . 17.6 p -154.6 36.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.885 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.7 OUTLIER -159.29 -31.84 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.836 -178.675 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -94.58 -31.51 13.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.691 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.936 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.603 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.563 ' HG2' ' OE2' ' A' ' 15' ' ' GLU . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp -72.16 -28.36 63.18 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 47.7 mtmt -75.25 -32.07 60.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.56 37.27 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.827 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 45.1 tp -71.58 121.1 83.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 111.185 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.419 2.746 . . . . 0.0 112.226 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.479 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 41.5 t 70.74 -94.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HZ2' ' CD ' ' A' ' 6' ' ' GLU . 12.3 tppt? -77.92 44.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 122.079 0.942 . . . . 0.0 110.147 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 2' ' ' VAL . 18.3 p -171.1 37.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' HG21 ' A' ' 8' ' ' THR . 13.2 p -177.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.817 -179.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.48 ' CD ' ' HZ2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -68.05 -40.78 82.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.041 -0.982 . . . . 0.0 111.721 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m -65.46 -43.31 90.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 5' ' ' SER . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.545 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.545 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.868 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.532 ' CD ' ' HZ1' ' A' ' 19' ' ' LYS . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.35 -35.7 76.13 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.532 ' HZ1' ' CD ' ' A' ' 15' ' ' GLU . 64.8 mttm -62.26 -34.74 77.13 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.902 0.382 . . . . 0.0 110.644 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.11 -31.57 25.48 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.173 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 46.1 tp -76.21 118.34 70.62 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.648 0.261 . . . . 0.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.9 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 123.431 2.754 . . . . 0.0 112.188 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.59 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -132.34 -62.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.851 0.326 . . . . 0.0 110.735 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.59 ' H ' HG13 ' A' ' 2' ' ' VAL . 21.1 pttm -84.72 -41.07 16.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -83.38 34.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.019 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -173.82 30.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.8 tp10 -174.59 -64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.029 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.534 ' OG1' ' HA ' ' A' ' 3' ' ' LYS . 13.1 m -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.556 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' HA ' HD11 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.497 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt -63.24 -22.5 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 40.5 mmtm -80.07 -31.59 39.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.979 0.418 . . . . 0.0 110.435 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -31.44 32.49 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 99.0 mt -72.0 124.9 91.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.264 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 8.3 Cg_endo . . . . . 0 C--O 1.249 1.049 0 C-N-CA 123.491 2.794 . . . . 0.0 112.248 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.459 HG13 ' N ' ' A' ' 3' ' ' LYS . 7.7 p -164.21 -44.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.954 0.377 . . . . 0.0 110.679 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.459 ' N ' HG13 ' A' ' 2' ' ' VAL . 13.1 mmmm -74.59 57.9 0.76 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.24 0.543 . . . . 0.0 110.958 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.3 p -165.29 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.917 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.524 ' O ' HG23 ' A' ' 8' ' ' THR . 4.0 p -79.83 -54.06 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.992 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' HA ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.11 -36.76 82.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.557 178.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m -67.76 -42.08 82.31 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.157 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.524 HG23 ' O ' ' A' ' 5' ' ' SER . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.585 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.809 ' HA ' HD23 ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.585 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.809 HD23 ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.584 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.04 -40.35 87.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 38.2 mtpt -96.61 27.37 3.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.24 20.45 3.0 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.551 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 94.1 mt -95.71 -53.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.47 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.569 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 93.2 Cg_endo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 122.125 1.884 . . . . 0.0 112.657 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -92.29 -59.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.072 0.436 . . . . 0.0 110.955 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.8 mttm -82.49 52.33 2.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.919 0.866 . . . . 0.0 110.741 179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 p -136.01 -33.31 0.84 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.286 -1.324 . . . . 0.0 107.856 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -97.61 -43.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.056 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' HA ' HD21 ' A' ' 9' ' ' LEU . 4.5 tt0 -55.75 -32.11 63.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.818 178.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.522 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m -53.0 -42.23 65.4 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.807 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.522 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HB2' ' HE2' ' A' ' 11' ' ' MET . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.696 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HZ2' ' CD ' ' A' ' 15' ' ' GLU . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' CD ' ' HZ2' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.696 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp -72.99 -29.16 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 27.1 mmmt -71.57 -36.77 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.435 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.76 34.46 5.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.044 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 50.7 tp -80.89 -51.82 0.91 Allowed Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.021 1.814 . . . . 0.0 112.809 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -161.84 58.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.14 0.972 . . . . 0.0 109.937 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HZ3' ' CD ' ' A' ' 6' ' ' GLU . 13.2 mmtp 57.56 48.76 13.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.609 -179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -61.36 142.61 56.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.219 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p 60.34 36.99 20.45 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.013 0.911 . . . . 0.0 110.708 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' A' ' 9' ' ' LEU . 3.7 tt0 -159.16 -31.55 0.07 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.26 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.627 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.519 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.436 ' HE2' ' HB3' ' A' ' 11' ' ' MET . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.798 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.447 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.798 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -95.47 21.17 8.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.28 -44.3 0.23 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.58 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.501 HD12 ' HA ' ' A' ' 21' ' ' LEU . 3.4 mm? -93.65 121.88 63.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.561 0.219 . . . . 0.0 110.646 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.973 2.449 . . . . 0.0 112.366 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' HA3' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 3' ' ' LYS . 38.7 t -66.74 -42.11 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.08 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -140.07 42.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.725 0.774 . . . . 0.0 110.087 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.51 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 3.6 p -137.68 3.61 2.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -93.72 -37.48 11.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.898 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 58.3 tt0 -127.36 -45.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.631 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 15.6 m -47.85 -48.89 30.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.51 ' OG1' ' HA ' ' A' ' 4' ' ' SER . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.641 ' N ' HD11 ' A' ' 9' ' ' LEU . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.501 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.536 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt -65.67 -21.51 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 65.7 mmtt -81.02 -35.04 32.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -41.85 9.11 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.267 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 21' ' ' LEU . 3.9 mm? -83.55 121.11 76.35 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.663 0.268 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 123.106 2.537 . . . . 0.0 112.375 179.697 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG11 ' N ' ' A' ' 3' ' ' LYS . 7.7 p -167.89 -47.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.223 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.548 ' HZ1' ' CD ' ' A' ' 6' ' ' GLU . 40.5 mmtm -79.64 40.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 2' ' ' VAL . 21.8 p -148.05 27.28 0.96 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.67 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.5 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 14.8 p -165.22 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.568 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' CD ' ' HZ1' ' A' ' 3' ' ' LYS . 12.1 tt0 -61.05 -21.98 64.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.368 178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -120.93 -28.54 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' ' 5' ' ' SER . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.682 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.682 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.824 ' HE3' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.576 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.767 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -72.47 -39.96 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -71.19 -35.96 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.22 33.46 6.51 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.696 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.613 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 49.9 tp -85.44 -51.46 0.51 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.525 -0.338 . . . . 0.0 111.818 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.613 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 5.2 Cg_exo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.527 2.151 . . . . 0.0 112.404 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.488 HG11 ' H ' ' A' ' 3' ' ' LYS . 3.2 p -165.61 -49.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.488 ' H ' HG11 ' A' ' 2' ' ' VAL . 29.3 mmmt -66.97 -29.5 69.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 p -73.42 28.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.394 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.709 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.3 p -165.45 -51.82 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -60.83 -38.19 84.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.176 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m -87.18 -38.28 16.54 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.709 HG22 ' HA ' ' A' ' 5' ' ' SER . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.497 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.497 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.61 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.629 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.882 ' HA ' HD21 ' A' ' 21' ' ' LEU . 4.4 pp -74.44 -28.24 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HZ3' ' CD ' ' A' ' 15' ' ' GLU . 85.5 mttt -78.82 -29.56 44.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.424 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.66 28.63 12.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.427 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 18' ' ' LEU . 3.1 pp -94.89 -37.29 0.29 Allowed Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.737 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 6.3 Cg_exo . . . . . 0 C--N 1.364 1.344 0 C-N-CA 121.99 1.794 . . . . 0.0 112.455 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.593 HG12 ' HB ' ' A' ' 7' ' ' THR . 18.4 t 58.81 -97.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.396 0.679 . . . . 0.0 112.008 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -25.62 9.15 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 p -61.81 -55.21 32.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p 175.3 36.26 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.887 0.851 . . . . 0.0 108.737 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.78 ' HA ' HD22 ' A' ' 9' ' ' LEU . 14.8 tt0 -129.23 -17.43 3.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.564 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.593 ' HB ' HG12 ' A' ' 2' ' ' VAL . 14.7 t -63.69 -30.69 71.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.821 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' HG21 ' A' ' 7' ' ' THR . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD22 ' HA ' ' A' ' 6' ' ' GLU . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.572 HG21 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.402 ' HE3' ' HB2' ' A' ' 11' ' ' MET . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.962 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt -64.43 -48.51 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.962 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -95.8 27.24 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.957 179.319 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 52.22 0.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.82 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.643 HD12 ' HD2' ' A' ' 22' ' ' PRO . 32.9 tp -74.04 127.39 88.15 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.643 ' HD2' HD12 ' A' ' 21' ' ' LEU . 86.8 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.827 2.351 . . . . 0.0 112.178 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.822 HG12 ' H ' ' A' ' 3' ' ' LYS . 2.4 p -164.41 -70.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.766 0.283 . . . . 0.0 110.648 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.822 ' H ' HG12 ' A' ' 2' ' ' VAL . 33.8 mmtp -65.24 -35.34 80.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.212 0.53 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 p -97.14 22.89 7.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.978 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 p -164.34 32.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.153 0.501 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.58 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.2 tm-20 -171.29 -68.18 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.612 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.533 ' OG1' ' HD3' ' A' ' 3' ' ' LYS . 7.0 m -53.29 -44.39 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.313 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.679 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.583 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.679 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt -63.98 -23.68 67.43 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -71.56 -37.48 71.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.081 0.467 . . . . 0.0 110.215 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.22 -30.56 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.0 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.1 tp -72.66 120.68 82.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.294 -179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 123.372 2.715 . . . . 0.0 112.115 179.52 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.702 HG12 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -156.04 -61.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.82 0.31 . . . . 0.0 110.504 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.702 ' H ' HG12 ' A' ' 2' ' ' VAL . 5.4 mptt -67.34 -39.31 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.53 0.681 . . . . 0.0 110.019 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -78.49 43.66 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.03 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.563 ' O ' HD11 ' A' ' 9' ' ' LEU . 5.5 p -174.57 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' CD ' ' HZ2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -96.11 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.549 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 -31.83 7.52 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.781 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.545 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD13 HD21 ' A' ' 9' ' ' LEU . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' LEU . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -71.77 -33.95 69.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -73.62 -35.86 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.65 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.92 69.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.136 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 9.7 tt -57.09 121.75 48.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.607 0.363 . . . . 0.0 111.116 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.242 2.628 . . . . 0.0 112.366 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.787 HG11 ' H ' ' A' ' 3' ' ' LYS . 1.6 p -63.49 -77.35 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.977 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.787 ' H ' HG11 ' A' ' 2' ' ' VAL . 2.0 tppp? -80.25 55.15 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.031 0.443 . . . . 0.0 110.418 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -169.64 -23.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.218 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -163.23 46.84 0.13 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' HA ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -163.84 -51.74 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.135 -179.458 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -60.68 -46.28 90.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.554 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.878 ' HE3' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.554 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.48 ' HG2' ' HE3' ' A' ' 19' ' ' LYS . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.412 ' HE2' ' CD1' ' A' ' 12' ' ' PHE . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -65.53 -37.17 85.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HE3' ' HG2' ' A' ' 15' ' ' GLU . 19.1 ptpt -82.72 -21.72 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.989 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.53 -42.63 9.99 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.16 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.1 mm? -83.82 122.78 76.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.578 0.228 . . . . 0.0 111.199 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.5 Cg_endo . . . . . 0 C--O 1.252 1.209 0 C-N-CA 123.528 2.819 . . . . 0.0 112.158 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.493 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.89 -90.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 123.952 0.901 . . . . 0.0 109.919 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -60.18 -33.77 72.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.11 0.481 . . . . 0.0 111.02 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.493 ' OG ' ' HA2' ' A' ' 1' ' ' GLY . 62.9 p -84.19 20.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.142 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -161.65 27.13 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.278 0.561 . . . . 0.0 110.142 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.4 tm-20 -167.34 -59.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.185 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m -62.88 -47.68 82.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.623 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.515 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.623 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.502 ' HE1' ' CD1' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.658 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -93.97 24.62 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.705 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.64 21.36 2.88 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 91.2 mt -95.41 -53.27 0.23 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.276 . . . . 0.0 111.539 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.529 2.153 . . . . 0.0 112.274 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.495 HG11 ' N ' ' A' ' 3' ' ' LYS . 9.7 p -169.97 -40.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.913 0.357 . . . . 0.0 110.602 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.909 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 8.7 mmpt? -74.03 57.87 0.65 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.035 0.445 . . . . 0.0 111.131 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 p -169.3 -44.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.456 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 p -77.7 -53.1 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.236 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.479 ' CD ' ' HZ1' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -64.03 -33.38 75.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.266 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m -70.28 -45.87 65.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.933 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 HG22 ' N ' ' A' ' 9' ' ' LEU . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.837 ' HE1' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.67 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' CA ' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.67 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.17 -41.17 81.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 31.9 mmmt -69.85 -34.61 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.541 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.47 35.85 4.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.592 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 1.7 tm? -78.71 -53.5 1.2 Allowed Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.592 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 3.2 Cg_exo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.566 2.178 . . . . 0.0 112.466 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.515 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.946 0.403 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 10' ' ' THR . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.942 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.66 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 9' ' ' LEU . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.913 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.563 ' HG2' ' OE2' ' A' ' 15' ' ' GLU . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 9' ' ' LEU . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.856 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.997 0.427 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.48 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.953 0.406 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.722 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.806 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.806 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.523 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.695 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.768 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 9' ' ' LEU . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.583 0.23 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.553 HG22 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt . . . . . 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.588 ' N ' HD22 ' A' ' 9' ' ' LEU . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.546 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.174 0.512 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.971 0.415 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.638 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.439 -1.016 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.488 ' N ' HD12 ' A' ' 9' ' ' LEU . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE2' ' CA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 7.1 m -127.38 44.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.162 0.481 . . . . 0.0 110.257 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 8.9 mptt 71.81 -51.37 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.054 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p -71.8 1.5 6.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.747 0.784 . . . . 0.0 110.49 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -157.45 44.41 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -165.79 -46.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.742 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m -63.79 -52.69 59.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.515 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 60.3 mt -65.28 -36.07 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -90.52 13.77 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.0 31.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.564 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.878 ' HG ' ' HD3' ' A' ' 22' ' ' PRO . 4.0 pp -96.55 -38.01 0.27 Allowed Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.878 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 98.1 Cg_endo . . . . . 0 C--N 1.365 1.4 0 C-N-CA 121.762 1.641 . . . . 0.0 112.54 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 3' ' ' LYS . 3.2 p -77.58 -55.37 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 117.214 0.507 . . . . 0.0 110.969 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' H ' HG13 ' A' ' 2' ' ' VAL . 31.5 mmmt -78.36 -38.11 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.34 57.83 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.163 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.718 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.9 p 178.04 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.516 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -41.92 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.017 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m -63.7 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.201 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 5' ' ' SER . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? -65.77 -35.53 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -73.86 -30.47 62.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.36 -41.71 16.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.287 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.2 mm? -84.44 121.71 75.11 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.704 0.288 . . . . 0.0 111.4 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 3.3 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.476 2.784 . . . . 0.0 112.128 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.504 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -90.3 57.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.886 0.851 . . . . 0.0 110.298 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 5' ' ' SER . 9.6 tptt 71.36 -50.26 0.69 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.388 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 p -71.5 15.87 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.398 0.618 . . . . 0.0 111.351 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.504 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 2.2 p -161.4 43.79 0.16 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -164.08 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.662 -178.479 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -70.43 -39.26 74.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.734 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp -72.22 -24.95 61.47 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 15' ' ' GLU . 97.3 mttt -74.53 -36.81 63.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.824 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.68 64.37 0.1 OUTLIER Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.412 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 53.9 tp -77.21 -53.41 1.67 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 119.768 -0.158 . . . . 0.0 111.249 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 87.6 Cg_endo . . . . . 0 C--O 1.248 1.003 0 C-N-CA 122.166 1.911 . . . . 0.0 112.564 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG23 ' H ' ' A' ' 3' ' ' LYS . 4.4 m -92.14 -55.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 0.0 110.182 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.3 mmtt -78.85 62.52 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.091 0.948 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -159.45 -42.81 0.05 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.093 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.657 ' HA ' HD23 ' A' ' 9' ' ' LEU . 2.8 p -86.79 -43.52 12.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.24 29.62 0.94 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.923 -1.49 . . . . 0.0 108.209 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -144.22 -69.08 0.31 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.626 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 5' ' ' SER . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HB3' HD12 ' A' ' 21' ' ' LEU . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.38 -29.66 69.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -94.71 -24.49 17.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 60.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.608 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.717 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 7.4 tt -71.68 -54.75 6.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.4 2.066 . . . . 0.0 112.682 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 14.4 p -141.97 41.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.206 1.003 . . . . 0.0 108.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 76.92 -51.81 0.57 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.155 -1.384 . . . . 0.0 110.273 -179.173 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -80.68 20.52 0.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.486 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -166.06 39.76 0.06 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -173.95 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.704 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -67.59 -49.66 62.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.175 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.942 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.41 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt -67.04 -39.13 86.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 16' ' ' MET . 10.4 ptmt -81.52 -26.82 34.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.332 . . . . 0.0 111.364 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.04 -41.01 23.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.079 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 3.8 mm? -90.46 119.56 69.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.667 0.27 . . . . 0.0 110.886 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 123.48 2.786 . . . . 0.0 111.949 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 3' ' ' LYS . 39.9 t 65.13 -81.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 122.982 0.513 . . . . 0.0 110.616 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 2' ' ' VAL . 5.0 mptp? -73.84 48.54 0.29 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.501 0.667 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.1 p -155.48 -7.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 p -154.6 36.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.885 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.7 OUTLIER -159.29 -31.84 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.836 -178.675 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -94.58 -31.51 13.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.691 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 ' H ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 9' ' ' LEU . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.913 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.604 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp -72.16 -28.36 63.18 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 47.7 mtmt -75.25 -32.07 60.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.56 37.27 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.827 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 45.1 tp -71.58 121.1 83.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 111.185 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.419 2.746 . . . . 0.0 112.226 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 41.5 t 70.74 -94.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 3' ' ' LYS . 12.3 tppt? -77.92 44.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 122.079 0.942 . . . . 0.0 110.147 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' VAL . 18.3 p -171.1 37.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -177.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.817 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -68.05 -40.78 82.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.041 -0.982 . . . . 0.0 111.721 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m -65.46 -43.31 90.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 9' ' ' LEU . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.856 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.35 -35.7 76.13 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 64.8 mttm -62.26 -34.74 77.13 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.902 0.382 . . . . 0.0 110.644 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.11 -31.57 25.48 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.173 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 46.1 tp -76.21 118.34 70.62 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.648 0.261 . . . . 0.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.9 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 123.431 2.754 . . . . 0.0 112.188 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -132.34 -62.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.851 0.326 . . . . 0.0 110.735 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 2' ' ' VAL . 21.1 pttm -84.72 -41.07 16.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -83.38 34.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.019 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -173.82 30.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.8 tp10 -174.59 -64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.029 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.549 ' OG1' ' HA ' ' A' ' 3' ' ' LYS . 13.1 m -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.556 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt -63.24 -22.5 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 40.5 mmtm -80.07 -31.59 39.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.979 0.418 . . . . 0.0 110.435 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -31.44 32.49 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 99.0 mt -72.0 124.9 91.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.264 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 8.3 Cg_endo . . . . . 0 C--O 1.249 1.049 0 C-N-CA 123.491 2.794 . . . . 0.0 112.248 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.21 -44.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.954 0.377 . . . . 0.0 110.679 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -74.59 57.9 0.76 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.24 0.543 . . . . 0.0 110.958 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.3 p -165.29 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.917 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 8' ' ' THR . 4.0 p -79.83 -54.06 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.992 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.11 -36.76 82.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.557 178.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m -67.76 -42.08 82.31 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.157 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 5' ' ' SER . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.592 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.04 -40.35 87.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 38.2 mtpt -96.61 27.37 3.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.24 20.45 3.0 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.551 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 94.1 mt -95.71 -53.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.47 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 93.2 Cg_endo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 122.125 1.884 . . . . 0.0 112.657 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.555 HG23 ' H ' ' A' ' 3' ' ' LYS . 3.3 m -92.29 -59.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.072 0.436 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' H ' HG23 ' A' ' 2' ' ' VAL . 46.8 mttm -82.49 52.33 2.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.919 0.866 . . . . 0.0 110.741 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 p -136.01 -33.31 0.84 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.286 -1.324 . . . . 0.0 107.856 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -97.61 -43.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.056 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' HA ' HD23 ' A' ' 9' ' ' LEU . 4.5 tt0 -55.75 -32.11 63.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.818 178.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m -53.0 -42.23 65.4 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.807 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.722 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HB3' ' HE3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp -72.99 -29.16 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.57 -36.77 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.435 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.76 34.46 5.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.044 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 50.7 tp -80.89 -51.82 0.91 Allowed Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.021 1.814 . . . . 0.0 112.809 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -161.84 58.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.14 0.972 . . . . 0.0 109.937 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 57.56 48.76 13.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.609 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -61.36 142.61 56.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.219 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p 60.34 36.99 20.45 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.013 0.911 . . . . 0.0 110.708 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.71 ' HA ' HD23 ' A' ' 9' ' ' LEU . 3.7 tt0 -159.16 -31.55 0.07 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.26 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.627 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 6' ' ' GLU . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.806 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.806 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -95.47 21.17 8.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.28 -44.3 0.23 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.58 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -93.65 121.88 63.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.561 0.219 . . . . 0.0 110.646 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.973 2.449 . . . . 0.0 112.366 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.511 ' HA3' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 3' ' ' LYS . 38.7 t -66.74 -42.11 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.08 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -140.07 42.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.725 0.774 . . . . 0.0 110.087 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.528 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 3.6 p -137.68 3.61 2.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -93.72 -37.48 11.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.898 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 58.3 tt0 -127.36 -45.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.631 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 15.6 m -47.85 -48.89 30.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.528 ' OG1' ' HA ' ' A' ' 4' ' ' SER . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.523 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt -65.67 -21.51 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 65.7 mmtt -81.02 -35.04 32.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -41.85 9.11 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.267 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.9 mm? -83.55 121.11 76.35 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.663 0.268 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 123.106 2.537 . . . . 0.0 112.375 179.697 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.89 -47.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.223 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.64 40.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 p -148.05 27.28 0.96 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.67 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 9' ' ' LEU . 14.8 p -165.22 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.568 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.05 -21.98 64.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.368 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -120.93 -28.54 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.488 ' OG1' ' HA ' ' A' ' 5' ' ' SER . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.695 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.768 ' HA ' ' HE2' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -72.47 -39.96 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -71.19 -35.96 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.22 33.46 6.51 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.696 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 49.9 tp -85.44 -51.46 0.51 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.525 -0.338 . . . . 0.0 111.818 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 5.2 Cg_exo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.527 2.151 . . . . 0.0 112.404 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -165.61 -49.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 5' ' ' SER . 29.3 mmmt -66.97 -29.5 69.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 p -73.42 28.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.394 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.3 p -165.45 -51.82 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -38.19 84.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.176 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m -87.18 -38.28 16.54 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 5' ' ' SER . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 9' ' ' LEU . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' A' ' 21' ' ' LEU . 4.4 pp -74.44 -28.24 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -78.82 -29.56 44.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.424 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.66 28.63 12.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.427 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.1 pp -94.89 -37.29 0.29 Allowed Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 6.3 Cg_exo . . . . . 0 C--N 1.364 1.344 0 C-N-CA 121.99 1.794 . . . . 0.0 112.455 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 18.4 t 58.81 -97.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.396 0.679 . . . . 0.0 112.008 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -25.62 9.15 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 p -61.81 -55.21 32.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p 175.3 36.26 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.887 0.851 . . . . 0.0 108.737 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 14.8 tt0 -129.23 -17.43 3.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.564 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -63.69 -30.69 71.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.821 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.553 HG22 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.986 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt -64.43 -48.51 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.986 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -95.8 27.24 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.957 179.319 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 52.22 0.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.82 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 22' ' ' PRO . 32.9 tp -74.04 127.39 88.15 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 21' ' ' LEU . 86.8 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.827 2.351 . . . . 0.0 112.178 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.4 p -164.41 -70.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.766 0.283 . . . . 0.0 110.648 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.753 ' H ' HG13 ' A' ' 2' ' ' VAL . 33.8 mmtp -65.24 -35.34 80.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.212 0.53 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 p -97.14 22.89 7.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.978 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 p -164.34 32.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.153 0.501 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.2 tm-20 -171.29 -68.18 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.612 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' HD3' ' A' ' 3' ' ' LYS . 7.0 m -53.29 -44.39 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.313 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt -63.98 -23.68 67.43 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -71.56 -37.48 71.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.081 0.467 . . . . 0.0 110.215 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.22 -30.56 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.0 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 45.1 tp -72.66 120.68 82.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.294 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 4.8 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 123.372 2.715 . . . . 0.0 112.115 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -156.04 -61.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.82 0.31 . . . . 0.0 110.504 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.568 ' H ' HG13 ' A' ' 2' ' ' VAL . 5.4 mptt -67.34 -39.31 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.53 0.681 . . . . 0.0 110.019 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -78.49 43.66 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.03 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 9' ' ' LEU . 5.5 p -174.57 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.11 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.549 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 -31.83 7.52 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.588 ' N ' HD22 ' A' ' 9' ' ' LEU . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.546 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HB3' HD12 ' A' ' 21' ' ' LEU . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -71.77 -33.95 69.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' MET . 26.3 mtpp -73.62 -35.86 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.65 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.92 69.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.136 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 17' ' ' GLN . 9.7 tt -57.09 121.75 48.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.607 0.363 . . . . 0.0 111.116 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.242 2.628 . . . . 0.0 112.366 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.797 HG13 ' H ' ' A' ' 3' ' ' LYS . 1.6 p -63.49 -77.35 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.977 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.797 ' H ' HG13 ' A' ' 2' ' ' VAL . 2.0 tppp? -80.25 55.15 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.031 0.443 . . . . 0.0 110.418 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -169.64 -23.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.218 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -163.23 46.84 0.13 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.84 -51.74 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.135 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -60.68 -46.28 90.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 19' ' ' LYS . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -65.53 -37.17 85.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 15' ' ' GLU . 19.1 ptpt -82.72 -21.72 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.989 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.53 -42.63 9.99 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.16 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.1 mm? -83.82 122.78 76.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.578 0.228 . . . . 0.0 111.199 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.5 Cg_endo . . . . . 0 C--O 1.252 1.209 0 C-N-CA 123.528 2.819 . . . . 0.0 112.158 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.89 -90.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 123.952 0.901 . . . . 0.0 109.919 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -60.18 -33.77 72.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.11 0.481 . . . . 0.0 111.02 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.498 ' OG ' ' HA2' ' A' ' 1' ' ' GLY . 62.9 p -84.19 20.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.142 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -161.65 27.13 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.278 0.561 . . . . 0.0 110.142 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.4 tm-20 -167.34 -59.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.185 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m -62.88 -47.68 82.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.638 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.667 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -93.97 24.62 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.705 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.64 21.36 2.88 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 91.2 mt -95.41 -53.27 0.23 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.276 . . . . 0.0 111.539 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.529 2.153 . . . . 0.0 112.274 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -169.97 -40.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.913 0.357 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.938 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 8.7 mmpt? -74.03 57.87 0.65 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.035 0.445 . . . . 0.0 111.131 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 p -169.3 -44.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.456 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 8' ' ' THR . 6.2 p -77.7 -53.1 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.236 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.03 -33.38 75.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.266 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m -70.28 -45.87 65.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.933 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 5' ' ' SER . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.488 ' N ' HD12 ' A' ' 9' ' ' LEU . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' HE2' ' CA ' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.17 -41.17 81.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 31.9 mmmt -69.85 -34.61 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.541 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.47 35.85 4.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 1.7 tm? -78.71 -53.5 1.2 Allowed Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 3.2 Cg_exo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.566 2.178 . . . . 0.0 112.466 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.806 0.336 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.515 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m . . . . . 0 N--CA 1.449 -0.493 0 CA-C-O 120.989 0.423 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.504 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? . . . . . 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.946 0.403 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.433 HD12 ' N ' ' A' ' 10' ' ' THR . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp . . . . . 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.942 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.997 0.427 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 9' ' ' LEU . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.913 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.563 ' HG2' ' OE2' ' A' ' 15' ' ' GLU . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 9' ' ' LEU . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.856 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp . . . . . 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.997 0.427 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m . . . . . 0 N--CA 1.443 -0.815 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.48 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m . . . . . 0 N--CA 1.449 -0.525 0 CA-C-O 120.953 0.406 . . . . 0.0 111.807 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.722 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.215 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.806 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.806 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.6 m . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.523 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.695 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 9' ' ' LEU . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.624 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp . . . . . 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 N--CA 1.447 -0.599 0 CA-C-O 120.583 0.23 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.553 HG22 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt . . . . . 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt . . . . . 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.588 ' N ' HD22 ' A' ' 9' ' ' LEU . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.546 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m . . . . . 0 N--CA 1.447 -0.614 0 CA-C-O 121.174 0.512 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.971 0.415 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.638 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 N--CA 1.439 -1.016 0 N-CA-C 111.933 0.346 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.488 ' N ' HD12 ' A' ' 9' ' ' LEU . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' CA ' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 7.1 m -127.38 44.15 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 117.162 0.481 . . . . 0.0 110.257 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.477 ' HD2' ' N ' ' A' ' 3' ' ' LYS . 8.9 mptt 71.81 -51.37 0.7 Allowed 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.054 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.9 p -71.8 1.5 6.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.747 0.784 . . . . 0.0 110.49 178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -157.45 44.41 0.35 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -165.79 -46.6 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.482 -1.236 . . . . 0.0 110.742 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 91.7 m -63.79 -52.69 59.15 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.0 t -63.14 -31.96 73.22 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.051 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.581 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 7.7 mp -63.46 -49.7 72.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.133 178.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.515 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 21.5 m -65.23 -26.72 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.653 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.7 ttm -73.16 -41.85 63.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -72.96 -38.64 66.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.264 -179.619 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.1 pp -69.55 -33.39 72.69 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.197 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 3.5 ttpt -55.61 -47.4 76.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.662 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -67.39 -47.77 69.36 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.362 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmt -60.46 -42.49 96.32 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.497 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -68.26 -40.91 81.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.079 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 60.3 mt -65.28 -36.07 82.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.961 0.41 . . . . 0.0 110.455 178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -90.52 13.77 14.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.0 31.49 1.08 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.564 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.878 ' HG ' ' HD3' ' A' ' 22' ' ' PRO . 4.0 pp -96.55 -38.01 0.27 Allowed Pre-proline 0 CA--C 1.546 0.81 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.878 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 98.1 Cg_endo . . . . . 0 C--N 1.365 1.4 0 C-N-CA 121.762 1.641 . . . . 0.0 112.54 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.045 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG13 ' H ' ' A' ' 3' ' ' LYS . 3.2 p -77.58 -55.37 10.63 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 117.214 0.507 . . . . 0.0 110.969 179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' H ' HG13 ' A' ' 2' ' ' VAL . 31.5 mmmt -78.36 -38.11 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.056 0.455 . . . . 0.0 109.982 179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.34 57.83 0.71 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.163 179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.718 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 47.9 p 178.04 -57.9 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.516 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -41.92 77.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.017 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.0 m -63.7 -37.84 88.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.201 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.3 m -65.44 -36.87 85.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.361 0.6 . . . . 0.0 109.749 178.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 5' ' ' SER . 11.4 mt -68.47 -48.85 63.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.528 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 p -65.77 -19.6 65.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.133 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.3 tmm? -73.91 -47.76 35.62 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.068 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.504 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.3 p90 -69.14 -36.22 77.2 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HG ' ' CE1' ' A' ' 12' ' ' PHE . 28.7 mt -63.61 -29.99 71.16 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.089 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -64.95 -45.6 85.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -48.4 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 123.587 0.554 . . . . 0.0 111.481 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 89.8 mtp -58.25 -50.04 75.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.958 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -66.77 -28.29 68.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.953 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 1.4 tm? -65.77 -35.53 80.99 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -73.86 -30.47 62.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.904 179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -78.36 -41.71 16.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.287 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.2 mm? -84.44 121.71 75.11 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 120.704 0.288 . . . . 0.0 111.4 -179.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 3.3 Cg_endo . . . . . 0 C--O 1.25 1.101 0 C-N-CA 123.476 2.784 . . . . 0.0 112.128 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.504 ' HA3' ' OG ' ' A' ' 5' ' ' SER . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -90.3 57.67 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.886 0.851 . . . . 0.0 110.298 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 5' ' ' SER . 9.6 tptt 71.36 -50.26 0.69 Allowed 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.388 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.9 p -71.5 15.87 0.12 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.398 0.618 . . . . 0.0 111.351 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.504 ' OG ' ' HA3' ' A' ' 1' ' ' GLY . 2.2 p -161.4 43.79 0.16 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.461 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -164.08 -46.04 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.662 -178.479 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.6 m -70.43 -39.26 74.51 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.734 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -61.74 -42.21 98.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.629 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 3.8 pp -70.4 -40.35 73.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.877 0.37 . . . . 0.0 110.577 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 13' ' ' LEU . 30.8 m -66.97 -26.31 66.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.553 0.692 . . . . 0.0 109.942 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 60.0 ttp -68.87 -41.76 77.95 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.6 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.465 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -72.96 -33.7 66.04 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.24 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 56.6 mt -62.46 -47.56 83.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.18 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -58.57 -26.46 63.62 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.674 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 7.5 pt-20 -98.05 -37.51 9.72 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 50.5 mtp -59.43 -35.2 73.57 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.352 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 80.2 mt-30 -63.88 -45.66 88.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.693 0.282 . . . . 0.0 111.181 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.5 pp -72.22 -24.95 61.47 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.59 179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.447 ' HE3' ' HB2' ' A' ' 15' ' ' GLU . 97.3 mttt -74.53 -36.81 63.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.824 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -175.68 64.37 0.1 OUTLIER Glycine 0 C--N 1.331 0.301 0 C-N-CA 119.847 -1.168 . . . . 0.0 113.412 -179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.676 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 53.9 tp -77.21 -53.41 1.67 Allowed Pre-proline 0 CA--C 1.539 0.537 0 CA-C-O 119.768 -0.158 . . . . 0.0 111.249 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.676 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 87.6 Cg_endo . . . . . 0 C--O 1.248 1.003 0 C-N-CA 122.166 1.911 . . . . 0.0 112.564 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.941 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.479 HG23 ' H ' ' A' ' 3' ' ' LYS . 4.4 m -92.14 -55.23 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.843 0.354 . . . . 0.0 110.182 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' H ' HG23 ' A' ' 2' ' ' VAL . 72.3 mmtt -78.85 62.52 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 122.091 0.948 . . . . 0.0 109.47 178.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 p -159.45 -42.81 0.05 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.051 -1.431 . . . . 0.0 108.093 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.657 ' HA ' HD23 ' A' ' 9' ' ' LEU . 2.8 p -86.79 -43.52 12.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 177.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.24 29.62 0.94 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.923 -1.49 . . . . 0.0 108.209 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.8 m -144.22 -69.08 0.31 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.626 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.4 m -59.99 -41.19 91.48 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.241 0.543 . . . . 0.0 110.693 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.657 HD23 ' HA ' ' A' ' 5' ' ' SER . 2.0 mm? -73.97 -39.1 63.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.088 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.575 ' HA ' HD12 ' A' ' 13' ' ' LEU . 14.0 m -63.89 -28.32 69.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.434 0.635 . . . . 0.0 110.071 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.0 ttp -66.48 -44.61 82.19 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.345 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.15 -36.22 71.97 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.096 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD12 ' HA ' ' A' ' 10' ' ' THR . 72.0 mt -58.25 -44.34 88.25 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.519 179.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' HE2' ' N ' ' A' ' 15' ' ' GLU . 0.1 OUTLIER -55.83 -47.8 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.446 178.664 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' N ' ' HE2' ' A' ' 14' ' ' LYS . 73.8 mm-40 -65.79 -45.98 80.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.549 -0.751 . . . . 0.0 112.676 -178.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 16.7 mmt -68.06 -52.13 38.77 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.614 ' HB3' HD12 ' A' ' 21' ' ' LEU . 13.0 mm100 -59.63 -38.31 81.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.868 0.366 . . . . 0.0 111.809 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.38 -29.66 69.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.816 0.341 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.0 mttp -94.71 -24.49 17.11 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 60.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 119.707 -1.235 . . . . 0.0 113.608 -179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.717 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 7.4 tt -71.68 -54.75 6.17 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 110.647 -0.131 . . . . 0.0 110.647 179.143 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.717 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 78.7 Cg_endo . . . . . 0 C--O 1.252 1.193 0 C-N-CA 122.4 2.066 . . . . 0.0 112.682 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.502 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 14.4 p -141.97 41.6 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 122.206 1.003 . . . . 0.0 108.864 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' ' 2' ' ' VAL . 0.1 OUTLIER 76.92 -51.81 0.57 Allowed 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 114.155 -1.384 . . . . 0.0 110.273 -179.173 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.3 p -80.68 20.52 0.73 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.486 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.8 p -166.06 39.76 0.06 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -173.95 -59.61 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.575 -1.193 . . . . 0.0 109.704 -177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.9 m -67.59 -49.66 62.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.175 179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.5 p -58.13 -35.86 72.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.722 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.534 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 5.1 mp -62.93 -51.28 67.53 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.175 179.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 18.6 m -64.16 -30.37 71.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.543 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 1.8 tpt -71.11 -45.27 63.97 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.148 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.534 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -68.35 -35.04 77.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.8 mt -58.9 -42.73 90.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.876 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.942 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 9.2 mmpt? -69.42 -37.64 77.52 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.573 179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.32 -49.22 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.41 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -63.9 -36.52 84.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.424 179.223 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -68.1 -40.77 82.54 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.49 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 96.3 mt -67.04 -39.13 86.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.477 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' CD ' ' HA ' ' A' ' 16' ' ' MET . 10.4 ptmt -81.52 -26.82 34.79 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.796 0.332 . . . . 0.0 111.364 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.04 -41.01 23.55 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.238 -0.506 . . . . 0.0 113.079 -179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 3.8 mm? -90.46 119.56 69.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-O 120.667 0.27 . . . . 0.0 110.886 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 123.48 2.786 . . . . 0.0 111.949 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.876 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.49 HG12 ' HD2' ' A' ' 3' ' ' LYS . 39.9 t 65.13 -81.54 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 C-N-CA 122.982 0.513 . . . . 0.0 110.616 -179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HD2' HG12 ' A' ' 2' ' ' VAL . 5.0 mptp? -73.84 48.54 0.29 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.501 0.667 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 57.1 p -155.48 -7.3 0.12 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.361 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 p -154.6 36.75 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.284 -0.871 . . . . 0.0 108.885 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.7 OUTLIER -159.29 -31.84 0.06 Allowed 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.322 -1.308 . . . . 0.0 109.836 -178.675 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 57.9 m -94.58 -31.51 13.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.691 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -46.03 88.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.17 -178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -74.46 -31.54 62.28 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.998 0.428 . . . . 0.0 110.661 -179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.597 ' N ' HD22 ' A' ' 9' ' ' LEU . 27.5 m -73.98 -17.21 61.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.355 0.598 . . . . 0.0 109.892 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.28 -48.65 61.09 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.664 179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -71.97 -32.86 67.67 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 36.7 tp -61.21 -29.87 70.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.484 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.913 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -64.89 -45.21 86.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.064 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.614 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 pp20? -81.22 -37.47 28.57 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 123.429 0.456 . . . . 0.0 111.791 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.604 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 60.3 mmm -59.72 -46.47 88.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.746 0.307 . . . . 0.0 111.736 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -65.37 -35.63 81.54 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.4 pp -72.16 -28.36 63.18 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.684 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 47.7 mtmt -75.25 -32.07 60.98 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.998 0.428 . . . . 0.0 110.283 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.18 -30.56 37.27 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.827 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 45.1 tp -71.58 121.1 83.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.653 0.263 . . . . 0.0 111.185 -179.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 6.0 Cg_endo . . . . . 0 C--O 1.253 1.273 0 C-N-CA 123.419 2.746 . . . . 0.0 112.226 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.994 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 41.5 t 70.74 -94.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 3' ' ' LYS . 12.3 tppt? -77.92 44.31 0.46 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 122.079 0.942 . . . . 0.0 110.147 178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 2' ' ' VAL . 18.3 p -171.1 37.92 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -177.84 -46.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.638 -1.164 . . . . 0.0 109.817 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -68.05 -40.78 82.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.041 -0.982 . . . . 0.0 111.721 -179.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.6 m -65.46 -43.31 90.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.9 t -64.12 -37.72 88.48 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.636 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.5 pp -73.3 -40.85 64.2 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.579 179.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.512 ' N ' HD12 ' A' ' 9' ' ' LEU . 26.1 m -70.46 -21.27 62.81 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.164 0.507 . . . . 0.0 110.346 179.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.6 ttm -71.22 -49.18 46.06 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.49 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -70.19 -34.82 73.42 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 45.6 tp -66.89 -38.36 86.14 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.224 -179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.856 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.89 -42.23 97.51 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.782 -179.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 22.9 tt0 -74.44 -47.6 32.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 123.429 0.456 . . . . 0.0 111.775 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 85.0 mmm -57.46 -43.83 84.32 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.676 0.274 . . . . 0.0 111.388 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -66.34 -32.8 74.41 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.06 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.5 tp -69.35 -35.7 76.13 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.677 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 15' ' ' GLU . 64.8 mttm -62.26 -34.74 77.13 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.902 0.382 . . . . 0.0 110.644 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.11 -31.57 25.48 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.777 -0.647 . . . . 0.0 113.173 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 46.1 tp -76.21 118.34 70.62 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.648 0.261 . . . . 0.0 111.329 -179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.9 Cg_endo . . . . . 0 C--O 1.253 1.249 0 C-N-CA 123.431 2.754 . . . . 0.0 112.188 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -132.34 -62.75 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.851 0.326 . . . . 0.0 110.735 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.591 ' H ' HG13 ' A' ' 2' ' ' VAL . 21.1 pttm -84.72 -41.07 16.58 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.959 0.409 . . . . 0.0 110.852 179.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 p -83.38 34.32 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.98 -0.555 . . . . 0.0 112.019 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.4 p -173.82 30.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.349 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.8 tp10 -174.59 -64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.029 179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.549 ' OG1' ' HA ' ' A' ' 3' ' ' LYS . 13.1 m -51.65 -41.85 61.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.556 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.5 p -60.06 -37.67 80.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.104 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.448 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.7 OUTLIER -74.38 -43.52 56.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.71 179.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HD12 ' A' ' 13' ' ' LEU . 2.6 m -59.55 -31.1 69.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.404 0.621 . . . . 0.0 109.903 178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.508 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 58.0 ttp -69.02 -42.06 76.91 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.996 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.475 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.05 -35.4 71.94 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 179.187 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 10' ' ' THR . 69.3 mt -60.43 -53.25 59.8 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.862 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -60.6 -34.95 74.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.708 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 13.7 tp10 -66.68 -47.74 71.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.052 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 97.2 mmm -69.7 -41.68 75.09 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.512 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 83.6 mm-40 -60.9 -40.16 92.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.301 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 63.2 mt -63.24 -22.5 66.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.437 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 40.5 mmtm -80.07 -31.59 39.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.979 0.418 . . . . 0.0 110.435 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.84 -31.44 32.49 Favored Glycine 0 N--CA 1.448 -0.513 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.769 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 99.0 mt -72.0 124.9 91.51 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 120.694 0.283 . . . . 0.0 111.264 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 8.3 Cg_endo . . . . . 0 C--O 1.249 1.049 0 C-N-CA 123.491 2.794 . . . . 0.0 112.248 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.21 -44.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.954 0.377 . . . . 0.0 110.679 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -74.59 57.9 0.76 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.24 0.543 . . . . 0.0 110.958 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.3 p -165.29 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.917 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.47 ' O ' HG22 ' A' ' 8' ' ' THR . 4.0 p -79.83 -54.06 6.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.362 -0.835 . . . . 0.0 108.992 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.11 -36.76 82.61 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.557 178.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.4 m -67.76 -42.08 82.31 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.337 -0.847 . . . . 0.0 112.157 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 5' ' ' SER . 6.3 t -67.04 -36.21 81.58 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.526 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.3 pp -72.32 -39.74 68.0 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.368 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 13' ' ' LEU . 39.1 m -68.7 -27.2 65.75 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.686 0.755 . . . . 0.0 109.793 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.3 tpp -72.64 -41.03 65.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.187 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -70.79 -37.86 73.32 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.448 -179.321 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 10' ' ' THR . 4.2 pp -68.32 -39.54 81.92 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 120.218 -0.593 . . . . 0.0 109.628 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -63.54 -42.75 98.38 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.113 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 19' ' ' LYS . 22.2 tp10 -58.68 -50.96 71.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.08 -0.964 . . . . 0.0 111.755 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 95.8 mmm -74.17 -36.95 64.1 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.592 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 76.1 mm-40 -71.7 -40.42 69.52 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.04 -40.35 87.14 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.467 0.651 . . . . 0.0 109.271 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HD3' ' O ' ' A' ' 15' ' ' GLU . 38.2 mtpt -96.61 27.37 3.9 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.283 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.24 20.45 3.0 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.551 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 94.1 mt -95.71 -53.58 0.22 Allowed Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.604 -0.298 . . . . 0.0 111.47 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.583 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 93.2 Cg_endo . . . . . 0 C--O 1.25 1.117 0 C-N-CA 122.125 1.884 . . . . 0.0 112.657 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.906 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.555 HG23 ' H ' ' A' ' 3' ' ' LYS . 3.3 m -92.29 -59.73 2.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 117.072 0.436 . . . . 0.0 110.955 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' H ' HG23 ' A' ' 2' ' ' VAL . 46.8 mttm -82.49 52.33 2.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.919 0.866 . . . . 0.0 110.741 179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 p -136.01 -33.31 0.84 Allowed 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.286 -1.324 . . . . 0.0 107.856 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 p -97.61 -43.4 7.23 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.056 177.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' HA ' HD23 ' A' ' 9' ' ' LEU . 4.5 tt0 -55.75 -32.11 63.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 113.982 -1.463 . . . . 0.0 109.818 178.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.48 ' HA ' HG22 ' A' ' 10' ' ' THR . 3.9 m -53.0 -42.23 65.4 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.807 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.3 m -65.37 -38.56 90.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.134 0.492 . . . . 0.0 110.811 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 6' ' ' GLU . 0.6 OUTLIER -70.99 -45.52 63.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.48 HG22 ' HA ' ' A' ' 7' ' ' THR . 7.6 t -68.59 -23.56 64.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.953 0.406 . . . . 0.0 110.261 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.7 tpp -69.76 -46.72 65.19 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.499 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.2 OUTLIER -69.27 -34.58 74.98 Favored 'General case' 0 N--CA 1.447 -0.614 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 178.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.722 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 0.2 OUTLIER -58.91 -49.72 76.73 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 -179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HE3' ' HB3' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -57.41 -42.06 81.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.434 178.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.486 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -62.87 -47.21 84.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.84 179.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 25.6 mmt -61.07 -37.69 83.57 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.633 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.722 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 41.2 mt-30 -62.69 -45.58 92.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.418 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 15' ' ' GLU . 4.3 pp -72.99 -29.16 62.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.971 0.415 . . . . 0.0 110.379 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt -71.57 -36.77 71.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.435 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.76 34.46 5.22 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.044 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 50.7 tp -80.89 -51.82 0.91 Allowed Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.575 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 83.9 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.021 1.814 . . . . 0.0 112.809 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.962 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.6 p -161.84 58.21 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 122.14 0.972 . . . . 0.0 109.937 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 57.56 48.76 13.78 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.609 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -61.36 142.61 56.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.219 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.8 p 60.34 36.99 20.45 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 122.013 0.911 . . . . 0.0 110.708 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.71 ' HA ' HD23 ' A' ' 9' ' ' LEU . 3.7 tt0 -159.16 -31.55 0.07 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -45.84 -51.26 13.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.199 -0.909 . . . . 0.0 112.627 -179.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -38.6 81.15 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.347 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.71 HD23 ' HA ' ' A' ' 6' ' ' GLU . 1.4 mm? -70.6 -47.27 60.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.374 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.526 ' O ' ' HD2' ' A' ' 14' ' ' LYS . 97.5 m -64.62 -28.14 69.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.523 179.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.1 ttp -69.58 -47.72 62.61 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -66.6 -34.06 77.05 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.806 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 41.3 mt -62.42 -50.18 72.54 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.549 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.647 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -60.01 -38.77 83.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.64 0.257 . . . . 0.0 110.643 179.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -60.62 -51.07 70.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.087 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 14.8 ptp -69.57 -33.57 72.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.806 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 16.1 mt-30 -66.24 -40.25 90.11 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.757 -0.377 . . . . 0.0 111.255 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 95.6 mt -66.21 -33.98 76.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.374 0.607 . . . . 0.0 109.777 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -95.47 21.17 8.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.916 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.28 -44.3 0.23 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.58 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -93.65 121.88 63.71 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.561 0.219 . . . . 0.0 110.646 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo . . . . . 0 C--O 1.252 1.199 0 C-N-CA 122.973 2.449 . . . . 0.0 112.366 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.511 ' HA3' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 ' HB ' ' HD2' ' A' ' 3' ' ' LYS . 38.7 t -66.74 -42.11 88.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.08 -179.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.46 ' HD2' ' HB ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -140.07 42.68 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.725 0.774 . . . . 0.0 110.087 179.77 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.528 ' HA ' ' OG1' ' A' ' 8' ' ' THR . 3.6 p -137.68 3.61 2.52 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.455 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 p -93.72 -37.48 11.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.898 179.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 58.3 tt0 -127.36 -45.63 1.51 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.631 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 3' ' ' LYS . 15.6 m -47.85 -48.89 30.73 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.528 ' OG1' ' HA ' ' A' ' 4' ' ' SER . 9.1 m -59.7 -37.36 78.63 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.263 0.554 . . . . 0.0 110.692 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 3.1 mp -66.22 -52.04 51.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.252 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.4 m -63.11 -26.71 68.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.704 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.523 ' SD ' ' HE2' ' A' ' 14' ' ' LYS . 49.4 tpp -71.27 -43.95 66.18 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.726 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.4 OUTLIER -71.0 -35.22 72.0 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.273 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 35.0 mt -62.15 -52.08 65.27 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.038 -0.983 . . . . 0.0 111.201 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.548 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.2 OUTLIER -61.42 -35.19 76.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.483 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 44.2 tp10 -65.89 -47.37 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.44 -179.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 45.9 mtm -66.58 -42.72 86.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -61.72 -36.28 80.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.226 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.3 mt -65.67 -21.51 66.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.786 0.327 . . . . 0.0 111.356 179.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 65.7 mmtt -81.02 -35.04 32.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.944 0.402 . . . . 0.0 110.141 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -41.85 9.11 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.738 -0.664 . . . . 0.0 113.267 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 21' ' ' LEU . 3.9 mm? -83.55 121.11 76.35 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-O 120.663 0.268 . . . . 0.0 111.188 -179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo . . . . . 0 C--O 1.252 1.184 0 C-N-CA 123.106 2.537 . . . . 0.0 112.375 179.697 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.886 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.7 p -167.89 -47.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.042 0.449 . . . . 0.0 110.223 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -79.64 40.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.419 0.628 . . . . 0.0 110.503 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.8 p -148.05 27.28 0.96 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.67 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.517 ' O ' HD12 ' A' ' 9' ' ' LEU . 14.8 p -165.22 -43.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.46 -1.246 . . . . 0.0 108.568 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -61.05 -21.98 64.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.985 -1.461 . . . . 0.0 111.368 178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.7 t -120.93 -28.54 4.78 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.488 ' OG1' ' HA ' ' A' ' 5' ' ' SER . 13.8 p -60.46 -31.56 70.55 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.16 0.429 . . . . 0.0 112.16 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -63.92 -37.48 87.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 110.259 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.695 ' H ' HD13 ' A' ' 9' ' ' LEU . 14.2 m -74.7 -24.77 58.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 110.049 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.415 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.1 tpt -69.96 -47.74 61.11 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.311 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.608 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -69.63 -31.03 68.89 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.333 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 43.4 tp -61.27 -40.59 94.66 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.397 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.768 ' HE2' ' HA ' ' A' ' 14' ' ' LYS . 10.7 mmpt? -60.44 -46.36 90.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.395 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.88 -51.5 66.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.398 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.8 mtt -60.84 -44.89 96.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.054 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -64.13 -34.11 77.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 72.6 mt -72.47 -39.96 67.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.905 0.383 . . . . 0.0 110.573 179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -71.19 -35.96 71.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.035 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.22 33.46 6.51 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.05 -0.595 . . . . 0.0 111.696 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.609 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 49.9 tp -85.44 -51.46 0.51 Allowed Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.525 -0.338 . . . . 0.0 111.818 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 5.2 Cg_exo . . . . . 0 C--O 1.25 1.118 0 C-N-CA 122.527 2.151 . . . . 0.0 112.404 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.2 p -165.61 -49.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.886 0.374 . . . . 0.0 110.576 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 5' ' ' SER . 29.3 mmmt -66.97 -29.5 69.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.068 0.461 . . . . 0.0 110.228 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 p -73.42 28.95 0.07 Allowed 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 115.476 -0.783 . . . . 0.0 112.394 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HA ' HG22 ' A' ' 8' ' ' THR . 14.3 p -165.45 -51.82 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.83 -38.19 84.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.176 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 m -87.18 -38.28 16.54 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.444 HG22 ' HA ' ' A' ' 5' ' ' SER . 1.3 t -60.24 -34.87 74.3 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 4.3 pp -71.27 -38.3 71.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.239 0.542 . . . . 0.0 110.091 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.475 ' N ' HD12 ' A' ' 9' ' ' LEU . 2.8 m -70.03 -21.9 63.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.273 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.6 tpp -72.97 -48.67 34.65 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.563 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 0.6 OUTLIER -69.15 -33.66 73.77 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.627 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 46.4 tp -64.69 -36.15 83.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.462 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.624 ' HE3' ' HA ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -65.0 -41.14 95.63 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.25 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.638 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 1.1 tt0 -80.19 -42.17 23.85 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.576 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 61.5 ttp -59.85 -44.79 93.93 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.688 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.63 -34.28 77.86 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.896 ' HA ' HD23 ' A' ' 21' ' ' LEU . 4.4 pp -74.44 -28.24 60.96 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.26 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -78.82 -29.56 44.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.424 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.66 28.63 12.73 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.626 -0.797 . . . . 0.0 113.427 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 18' ' ' LEU . 3.1 pp -94.89 -37.29 0.29 Allowed Pre-proline 0 CA--C 1.547 0.827 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.749 ' HD3' ' HG ' ' A' ' 21' ' ' LEU . 6.3 Cg_exo . . . . . 0 C--N 1.364 1.344 0 C-N-CA 121.99 1.794 . . . . 0.0 112.455 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.515 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 18.4 t 58.81 -97.31 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.396 0.679 . . . . 0.0 112.008 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.08 -25.62 9.15 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 p -61.81 -55.21 32.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.7 p 175.3 36.26 0.0 OUTLIER 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.887 0.851 . . . . 0.0 108.737 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.736 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 14.8 tt0 -129.23 -17.43 3.82 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.564 -176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -63.69 -30.69 71.76 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.821 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -70.45 -41.96 72.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.011 0.434 . . . . 0.0 110.747 179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.736 ' HG ' ' O ' ' A' ' 6' ' ' GLU . 4.4 pp -70.55 -36.92 73.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.379 0.609 . . . . 0.0 109.946 179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.553 HG22 ' HE2' ' A' ' 14' ' ' LYS . 18.9 m -73.43 -16.65 61.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.195 178.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.1 tpp -75.49 -45.94 35.39 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.892 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -65.68 -28.92 69.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.464 0.65 . . . . 0.0 109.698 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 39.9 tp -61.97 -38.6 89.14 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.574 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 68.8 mmtt -60.96 -47.7 85.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.641 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -60.92 -49.98 75.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.722 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.986 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 65.8 mtt -64.09 -42.25 96.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.2 -0.455 . . . . 0.0 112.06 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.416 HE22 ' HD3' ' A' ' 22' ' ' PRO . 1.9 mm100 -67.14 -30.55 70.56 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.971 0.169 . . . . 0.0 111.102 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 60.6 mt -64.43 -48.51 75.07 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.986 ' HE2' ' HA ' ' A' ' 16' ' ' MET . 0.0 OUTLIER -95.8 27.24 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.064 0.459 . . . . 0.0 110.957 179.319 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -167.53 52.22 0.23 Allowed Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.82 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 22' ' ' PRO . 32.9 tp -74.04 127.39 88.15 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 110.479 -0.193 . . . . 0.0 110.479 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.542 ' HD2' HD12 ' A' ' 21' ' ' LEU . 86.8 Cg_endo . . . . . 0 C--O 1.251 1.148 0 C-N-CA 122.827 2.351 . . . . 0.0 112.178 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.753 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.4 p -164.41 -70.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-N 116.766 0.283 . . . . 0.0 110.648 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.753 ' H ' HG13 ' A' ' 2' ' ' VAL . 33.8 mmtp -65.24 -35.34 80.74 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.212 0.53 . . . . 0.0 110.795 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.9 p -97.14 22.89 7.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.978 -179.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.6 p -164.34 32.36 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.153 0.501 . . . . 0.0 110.504 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 5.2 tm-20 -171.29 -68.18 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.612 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.554 ' OG1' ' HD3' ' A' ' 3' ' ' LYS . 7.0 m -53.29 -44.39 68.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.313 -178.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.2 t -60.23 -34.05 73.12 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.29 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -78.03 -48.26 16.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.092 0.472 . . . . 0.0 109.766 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 m -60.5 -24.53 65.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.829 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 51.2 ttm -70.59 -48.37 55.55 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.594 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.4 OUTLIER -68.74 -36.1 77.95 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 179.15 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.682 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 44.1 mt -60.83 -46.42 90.61 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.08 179.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -58.64 -48.07 82.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.926 179.672 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -64.1 -41.14 97.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.602 -179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 84.4 mmm -68.14 -43.17 78.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.496 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.682 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 74.4 mt-30 -63.02 -33.42 75.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.656 0.265 . . . . 0.0 110.389 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 82.7 mt -63.98 -23.68 67.43 Favored 'General case' 0 C--O 1.225 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.052 179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -71.56 -37.48 71.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.081 0.467 . . . . 0.0 110.215 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.22 -30.56 19.37 Favored Glycine 0 N--CA 1.451 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 113.0 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.513 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 45.1 tp -72.66 120.68 82.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-O 120.673 0.273 . . . . 0.0 111.294 -179.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.513 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 4.8 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 123.372 2.715 . . . . 0.0 112.115 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG13 ' H ' ' A' ' 3' ' ' LYS . 2.6 p -156.04 -61.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.82 0.31 . . . . 0.0 110.504 178.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.568 ' H ' HG13 ' A' ' 2' ' ' VAL . 5.4 mptt -67.34 -39.31 85.78 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.53 0.681 . . . . 0.0 110.019 179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.5 p -78.49 43.66 0.48 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.03 178.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 9' ' ' LEU . 5.5 p -174.57 -34.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.34 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' HB3' ' O ' ' A' ' 2' ' ' VAL . 0.0 OUTLIER -96.11 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.549 -179.279 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 -31.83 7.52 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 -178.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.3 t -57.04 -39.64 75.23 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 -177.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 10' ' ' THR . 0.0 OUTLIER -70.69 -38.78 73.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.02 0.438 . . . . 0.0 110.433 179.746 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.588 ' N ' HD22 ' A' ' 9' ' ' LEU . 5.6 m -69.77 -25.64 63.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.436 0.636 . . . . 0.0 110.169 179.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.546 ' O ' ' HE3' ' A' ' 14' ' ' LYS . 51.3 tpp -69.61 -42.29 74.58 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.558 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 12' ' ' PHE . 0.3 OUTLIER -74.3 -33.32 63.17 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.9 mt -62.27 -46.02 90.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.383 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.05 -26.68 60.76 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -178.589 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 11.0 pt-20 -99.96 -43.23 6.45 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.946 -179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' LYS . 24.5 mmt -61.84 -37.02 82.91 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.542 ' HB3' HD12 ' A' ' 21' ' ' LEU . 83.9 mt-30 -64.18 -35.83 82.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.908 0.385 . . . . 0.0 110.668 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.4 mt -71.77 -33.95 69.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.294 0.569 . . . . 0.0 109.823 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 16' ' ' MET . 26.3 mtpp -73.62 -35.86 65.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.307 -0.861 . . . . 0.0 111.65 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 179.92 69.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.136 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 17' ' ' GLN . 9.7 tt -57.09 121.75 48.7 Favored Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 122.607 0.363 . . . . 0.0 111.116 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 123.242 2.628 . . . . 0.0 112.366 179.812 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.797 HG13 ' H ' ' A' ' 3' ' ' LYS . 1.6 p -63.49 -77.35 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 CA-C-O 120.923 0.392 . . . . 0.0 110.977 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.797 ' H ' HG13 ' A' ' 2' ' ' VAL . 2.0 tppp? -80.25 55.15 2.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.031 0.443 . . . . 0.0 110.418 179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.6 p -169.64 -23.83 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.218 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.1 p -163.23 46.84 0.13 Allowed 'General case' 0 CA--C 1.517 -0.322 0 CA-C-O 121.568 0.699 . . . . 0.0 110.15 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.84 -51.74 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.135 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.2 m -60.68 -46.28 90.97 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.958 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.6 p -61.02 -37.24 81.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.852 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.564 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 16.1 mt -67.18 -48.98 66.31 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.888 179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 49.4 m -63.28 -24.61 67.94 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.679 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 2.2 tpt -72.7 -48.43 38.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.755 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -68.18 -36.3 79.39 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.392 0.615 . . . . 0.0 109.442 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.2 mt -62.17 -39.02 91.27 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.104 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' HG ' ' A' ' 18' ' ' LEU . 0.6 OUTLIER -65.24 -44.15 89.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.044 179.204 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.499 ' HG2' ' HE3' ' A' ' 19' ' ' LYS . 15.2 tt0 -60.1 -50.39 73.89 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.138 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 16.4 ptp -68.41 -39.3 81.67 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.77 -38.9 80.38 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.067 -0.253 . . . . 0.0 111.399 -179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 14' ' ' LYS . 64.2 mt -65.53 -37.17 85.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.766 -0.197 . . . . 0.0 111.439 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.499 ' HE3' ' HG2' ' A' ' 15' ' ' GLU . 19.1 ptpt -82.72 -21.72 34.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.989 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.53 -42.63 9.99 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.053 -0.594 . . . . 0.0 113.16 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 4.1 mm? -83.82 122.78 76.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.578 0.228 . . . . 0.0 111.199 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 21' ' ' LEU . 5.5 Cg_endo . . . . . 0 C--O 1.252 1.209 0 C-N-CA 123.528 2.819 . . . . 0.0 112.158 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' HA2' ' OG ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.484 1.856 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t 74.89 -90.38 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 C-N-CA 123.952 0.901 . . . . 0.0 109.919 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -60.18 -33.77 72.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.11 0.481 . . . . 0.0 111.02 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.498 ' OG ' ' HA2' ' A' ' 1' ' ' GLY . 62.9 p -84.19 20.6 1.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.142 179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.6 p -161.65 27.13 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.278 0.561 . . . . 0.0 110.142 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.453 ' O ' ' HB2' ' A' ' 9' ' ' LEU . 1.4 tm-20 -167.34 -59.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.185 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.0 m -62.88 -47.68 82.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.2 t -62.17 -28.23 69.52 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.325 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.638 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 5.0 mp -66.36 -52.2 49.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.341 0.591 . . . . 0.0 109.727 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 m -66.18 -22.24 66.35 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.297 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.523 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 50.9 ttm -71.72 -42.66 67.05 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.503 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.638 ' CE2' ' HA ' ' A' ' 9' ' ' LEU . 1.2 p90 -74.45 -31.93 62.43 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.688 -0.805 . . . . 0.0 109.138 179.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.6 tp -65.7 -46.28 79.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.719 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -59.05 -30.95 68.42 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.105 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -86.78 -40.94 14.5 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.459 ' HG3' ' O ' ' A' ' 12' ' ' PHE . 44.4 mtm -62.36 -43.11 99.59 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.594 -0.443 . . . . 0.0 110.943 -179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.667 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 13.7 mm100 -70.81 -40.92 72.21 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.583 179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 tp -63.81 -41.2 97.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.17 0.509 . . . . 0.0 109.922 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -93.97 24.62 4.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.705 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.64 21.36 2.88 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.474 -0.651 . . . . 0.0 111.474 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 17' ' ' GLN . 91.2 mt -95.41 -53.27 0.23 Allowed Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.647 -0.276 . . . . 0.0 111.539 179.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.65 ' HD3' ' HB2' ' A' ' 21' ' ' LEU . 2.0 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.529 2.153 . . . . 0.0 112.274 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.924 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.7 p -169.97 -40.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.913 0.357 . . . . 0.0 110.602 179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.938 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 8.7 mmpt? -74.03 57.87 0.65 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.035 0.445 . . . . 0.0 111.131 179.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.4 p -169.3 -44.06 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.456 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.431 ' O ' HG22 ' A' ' 8' ' ' THR . 6.2 p -77.7 -53.1 7.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.236 178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HA ' HD21 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -64.03 -33.38 75.61 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.266 178.187 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.9 m -70.28 -45.87 65.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.217 -0.902 . . . . 0.0 111.933 -179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.431 HG22 ' O ' ' A' ' 5' ' ' SER . 7.6 t -66.27 -36.51 83.17 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.063 -0.255 . . . . 0.0 111.33 -179.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HA ' ' CD2' ' A' ' 12' ' ' PHE . 4.5 pp -70.01 -39.03 76.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.525 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.488 ' N ' HD12 ' A' ' 9' ' ' LEU . 63.3 m -68.84 -28.77 67.02 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.488 0.661 . . . . 0.0 109.678 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 11' ' ' MET . 3.3 tpt -69.86 -47.78 61.33 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.528 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.619 ' CD2' ' HA ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -66.46 -36.66 83.31 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 179.535 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.666 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.3 mt -60.37 -43.84 96.18 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.757 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' CA ' ' HE2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -62.18 -47.85 82.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.844 179.466 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' ' 19' ' ' LYS . 60.4 mm-40 -63.08 -44.48 95.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 123.574 0.546 . . . . 0.0 111.399 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 91.7 mmm -60.19 -45.21 93.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.706 0.289 . . . . 0.0 111.08 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.666 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 65.2 mt-30 -66.91 -35.76 80.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.17 -41.17 81.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 15' ' ' GLU . 31.9 mmmt -69.85 -34.61 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.541 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.47 35.85 4.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.94 -0.648 . . . . 0.0 111.81 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . 1.7 tm? -78.71 -53.5 1.2 Allowed Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.457 -0.371 . . . . 0.0 111.226 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 21' ' ' LEU . 3.2 Cg_exo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.566 2.178 . . . . 0.0 112.466 -179.707 . . . . . . . . 1 1 . 1 stop_ save_